Responsive image

Common name

5-ethyl-2-(ethylamino)-6-methylpyrimidin-4(1H)-one

IUPAC name

5-ethyl-2-(ethylamino)-6-methylpyrimidin-4(1H)-one

SMILES

CCNC1=NC(=O)C(CC)=C(C)N1

Common name

5-ethyl-2-(ethylamino)-6-methylpyrimidin-4(1H)-one

IUPAC name

5-ethyl-2-(ethylamino)-6-methylpyrimidin-4(1H)-one

SMILES

CCNC1=NC(=O)C(CC)=C(C)N1

INCHI

1S/C9H15N3O/c1-4-7-6(3)11-9(10-5-2)12-8(7)13/h4-5H2,1-3H3,(H2,10,11,12,13)

FORMULA

C9H15N3O

Responsive image

Common name

5-ethyl-2-(ethylamino)-6-methylpyrimidin-4(1H)-one

IUPAC name

5-ethyl-2-(ethylamino)-6-methylpyrimidin-4(1H)-one





Molecular weight

181.235

clogP

2.236

clogS

-3.582

Frequency

0.0007





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

57.78

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD03196 bupirimate Responsive image Fungicide Fungicide
FDBD03199 ethirimol Responsive image Fungicide Fungicide
2 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2v00_ligand_1_0.mol2 2v00 0.671053 -6.36 [nH]1c(nc(cc1=O)C)N 9
4g2w_ligand_2_20.mol2 4g2w 0.635294 -6.86 C(C)c1c(CC)nc[nH]c1=O 11
2v00_ligand_2_0.mol2 2v00 0.623529 -6.53 [nH]1c(nc(cc1=O)CC)N 10
5al4_ligand_frag_0.mol2 5al4 0.622951 -8.65 C1C[NH+](CCN1c1nc2CCCCc2c(=O)[nH]1)C 18
4rj7_ligand_2_7.mol2 4rj7 0.592105 -5.96 N(CC)c1nc(ccn1)C 10
3hvg_ligand.mol2 3hvg 0.56383 -6.96 O=c1cc([nH]c([nH+]1)N)CCC 12
4rj7_ligand_3_15.mol2 4rj7 0.560976 -5.97 N([C@H](CO)C)c1nc(ccn1)C 12
1rt2_ligand_3_15.mol2 1rt2 0.55102 -7.43 C(C)(C)c1c(C)n(c(=O)[nH]c1=O)C 13
107 , 11