Responsive image

Common name

N-[(3-chlorophenyl)methyl]pyrimidin-4-amine

IUPAC name

N-[(3-chlorophenyl)methyl]pyrimidin-4-amine

SMILES

C(c1cc(ccc1)Cl)Nc2ncncc2

Common name

N-[(3-chlorophenyl)methyl]pyrimidin-4-amine

IUPAC name

N-[(3-chlorophenyl)methyl]pyrimidin-4-amine

SMILES

C(c1cc(ccc1)Cl)Nc2ncncc2

INCHI

InChI=1S/C11H10ClN3/c12-10-3-1-2-9(6-10)7-14-11-4-5-13-8-15-11/h1-6,8H,7H2,(H,13,14,15)

FORMULA

C11H10ClN3

Responsive image

Common name

N-[(3-chlorophenyl)methyl]pyrimidin-4-amine

IUPAC name

N-[(3-chlorophenyl)methyl]pyrimidin-4-amine





Molecular weight

219.670

clogP

2.631

clogS

-4.190

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

37.81

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01395 Avanafil Responsive image Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; Treatment of erectile dysfunction in males.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3et7_ligand_3_15.mol2 3et7 0.84058 -6.77 N(Cc1ccccc1)c1ncncc1 14
3fzr_ligand_3_19.mol2 3fzr 0.84058 -6.70 c1(ccccc1)CNc1ccncn1 14
4nbn_ligand_3_19.mol2 4nbn 0.734177 -7.42 c1(ccccc1O)CNc1ccncn1 15
4nbn_ligand_3_0.mol2 4nbn 0.734177 -7.41 c1(ccncn1)NCc1ccccc1O 15
3iok_ligand_3_0.mol2 3iok 0.707317 -7.11 c1(ncncc1)N[C@@H](C)c1ccc(F)cc1 16
4nbn_ligand.mol2 4nbn 0.690476 -8.90 C(Nc1cc(ncn1)NCc1ccccc1O)c1c(cccc1)O 25
2jiu_ligand_3_34.mol2 2jiu 0.644444 -8.41 [C@@H](C)(c1ccccc1)Nc1c2c([nH+]cc2)nc[nH]1 18
2itp_ligand_3_34.mol2 2itp 0.644444 -8.32 c1(ccccc1)[C@@H](C)Nc1c2c([nH+]cc2)nc[nH]1 18
2itt_ligand_3_34.mol2 2itt 0.644444 -8.29 c1(ccccc1)[C@@H](C)Nc1c2c([nH+]cc2)nc[nH]1 18
2j6m_ligand_3_34.mol2 2j6m 0.644444 -8.07 c1(ccccc1)[C@@H](C)Nc1c2c([nH+]cc2)nc[nH]1 18
103 , 11