8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C10H11N3OS — CID 10560946

IUPAC8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(SC)nc21
InChIInChI=1S/C10H11N3OS/c1-3-13-8(14)5-4-7-6-11-10(15-2)12-9(7)13/h4-6H,3H2,1-2H3
InChIKeyRNYUFDKLBWLNCR-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.53
Rot. Bonds2

About 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10560946) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10560946
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(SC)nc21
InChIInChI=1S/C10H11N3OS/c1-3-13-8(14)5-4-7-6-11-10(15-2)12-9(7)13/h4-6H,3H2,1-2H3
InChIKeyRNYUFDKLBWLNCR-UHFFFAOYSA-N
XLogP1.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 14
CID 5330200
1-allyl-5-{[2-(methylthio)-5-pyrimidinyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 885231
1-butyl-5-{[2-(methylthio)-5-pyrimidinyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2205900
2-(methylthio)pyrido(2,3-d)pyrimidin-7(8H)-one
CID 1234763
Pyrido[2,3-d]pyrimidin-7-ol
CID 10012049
1-methyl-5-{[2-(methylthio)-5-pyrimidinyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2209680
8-methyl-2-(methylsulfanyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 10750835
2-Aminopyrido[2,3-d]pyrimidin-7(8H)-one
CID 5373808
6-Amino-2,8-Dimethylpyrido[2,3-D]pyrimidin-7(8h)-One
CID 72201016
8-Cyclopentyl-5-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 11265824

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 10560946) is 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(SC)nc21.
What is the InChIKey of 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RNYUFDKLBWLNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-3-13-8(14)5-4-7-6-11-10(15-2)12-9(7)13/h4-6H,3H2,1-2H3.
What are the key properties of 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 221.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10560946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).