5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one

C21H20N4O2S — CID 147135860

IUPAC5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2csc(C3=C(C)NC(=O)NC3c3ccc(C)nc3)n2)cc1
InChIInChI=1S/C21H20N4O2S/c1-12-4-5-15(10-22-12)19-18(13(2)23-21(26)25-19)20-24-17(11-28-20)14-6-8-16(27-3)9-7-14/h4-11,19H,1-3H3,(H2,23,25,26)
InChIKeyBRDMWWVYGMCSJO-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.31
Rot. Bonds4

About 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one

5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 147135860) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID147135860
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2csc(C3=C(C)NC(=O)NC3c3ccc(C)nc3)n2)cc1
InChIInChI=1S/C21H20N4O2S/c1-12-4-5-15(10-22-12)19-18(13(2)23-21(26)25-19)20-24-17(11-28-20)14-6-8-16(27-3)9-7-14/h4-11,19H,1-3H3,(H2,23,25,26)
InChIKeyBRDMWWVYGMCSJO-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-hydroxyphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 71292605
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 89427160
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 89427141
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-6-methyl-4-pyridin-4-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427113
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,4-dimethoxypyrimidin-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427200
6-methyl-5-[4-[4-(methylamino)phenyl]-1,3-thiazol-2-yl]-4-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 162565891
4-[2-[4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile
CID 71505727
4-[2-(6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 71506623
6-methyl-5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 147171421
5-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(2,6-dichloro-3-pyridinyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 89427132
4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 71506815
4-[2-[4-(1H-indol-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-pyridin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 161330576

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 147135860) is 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one is COc1ccc(-c2csc(C3=C(C)NC(=O)NC3c3ccc(C)nc3)n2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is BRDMWWVYGMCSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-12-4-5-15(10-22-12)19-18(13(2)23-21(26)25-19)20-24-17(11-28-20)14-6-8-16(27-3)9-7-14/h4-11,19H,1-3H3,(H2,23,25,26).
What are the key properties of 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one?
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 392.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 147135860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).