8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C19H19N3O3S — CID 102178587

IUPAC8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(OC)c(-c2cc3cnc(SC)nc3n(C3CC3)c2=O)c1
InChIInChI=1S/C19H19N3O3S/c1-24-13-6-7-16(25-2)14(9-13)15-8-11-10-20-19(26-3)21-17(11)22(18(15)23)12-4-5-12/h6-10,12H,4-5H2,1-3H3
InChIKeyCNYLTSVHQKBBCR-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.53
Rot. Bonds5

About 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 102178587) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID102178587
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(OC)c(-c2cc3cnc(SC)nc3n(C3CC3)c2=O)c1
InChIInChI=1S/C19H19N3O3S/c1-24-13-6-7-16(25-2)14(9-13)15-8-11-10-20-19(26-3)21-17(11)22(18(15)23)12-4-5-12/h6-10,12H,4-5H2,1-3H3
InChIKeyCNYLTSVHQKBBCR-UHFFFAOYSA-N
XLogP3.53
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-methylphenyl)-2-methylsulfanyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 68927411
7-cyclopentyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 58299552
8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 58664273
4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one
CID 157452235
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70740438
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 166640289
8-cyclopentyl-6-iodo-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 11395497
methyl 7-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 166513371
tert-butyl N-[6-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-2-pyridinyl]carbamate
CID 131747645
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135382600
6-(difluoromethoxymethyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 177155768
8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one
CID 3233795

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 102178587) is 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(OC)c(-c2cc3cnc(SC)nc3n(C3CC3)c2=O)c1.
What is the InChIKey of 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CNYLTSVHQKBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-13-6-7-16(25-2)14(9-13)15-8-11-10-20-19(26-3)21-17(11)22(18(15)23)12-4-5-12/h6-10,12H,4-5H2,1-3H3.
What are the key properties of 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 369.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 102178587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).