5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C10H11N3O2S — CID 137429404

IUPAC5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(-c2nc(C)cs2)[nH]c1=O
InChIInChI=1S/C10H11N3O2S/c1-5-4-16-10(11-5)8-12-6(2)7(15-3)9(14)13-8/h4H,1-3H3,(H,12,13,14)
InChIKeyNPODBQOSBVCGCE-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.52
Rot. Bonds2

About 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 137429404) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID137429404
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(-c2nc(C)cs2)[nH]c1=O
InChIInChI=1S/C10H11N3O2S/c1-5-4-16-10(11-5)8-12-6(2)7(15-3)9(14)13-8/h4H,1-3H3,(H,12,13,14)
InChIKeyNPODBQOSBVCGCE-UHFFFAOYSA-N
XLogP1.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 104770895
4-tert-butyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137016841
5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136739044
2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982286
5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one
CID 137429401
2-(4-cyclopropyl-1,3-thiazol-2-yl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-2-(5-iodo-1,3-thiazol-2-yl)-5-methoxy-1H-pyrimidin-6-one;4-hydroxy-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltetrazol-5-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(3-methyl-2H-triazol-3-ium-4-yl)-1H-pyrimidin-6-one;5-methoxy-4-methyl-2-(2-methyltriazol-4-yl)-1H-pyrimidin-6-one
CID 158694604
5-(4-methyl-1,3-thiazol-2-yl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 75505949
2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one
CID 137259074
5-methoxy-4-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137258015
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole
CID 159550357
diethyl propanedioate;4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one;4-methyl-1,3-thiazole-2-carboximidamide;hydrochloride
CID 162126147

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 137429404) is 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is COc1c(C)nc(-c2nc(C)cs2)[nH]c1=O.
What is the InChIKey of 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is NPODBQOSBVCGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-5-4-16-10(11-5)8-12-6(2)7(15-3)9(14)13-8/h4H,1-3H3,(H,12,13,14).
What are the key properties of 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 237.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137429404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).