8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C15H14N4O2S — CID 137242802

IUPAC8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CSc3nc(C)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C15H14N4O2S/c1-9-3-4-19-12(5-9)17-11(7-14(19)21)8-22-15-16-10(2)6-13(20)18-15/h3-7H,8H2,1-2H3,(H,16,18,20)
InChIKeyYGSUSFXGJBQBHE-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.69
Rot. Bonds3

About 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 137242802) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID137242802
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CSc3nc(C)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C15H14N4O2S/c1-9-3-4-19-12(5-9)17-11(7-14(19)21)8-22-15-16-10(2)6-13(20)18-15/h3-7H,8H2,1-2H3,(H,16,18,20)
InChIKeyYGSUSFXGJBQBHE-UHFFFAOYSA-N
XLogP1.69
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 137242802) is 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CSc3nc(C)cc(=O)[nH]3)nc2c1.
What is the InChIKey of 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YGSUSFXGJBQBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-3-4-19-12(5-9)17-11(7-14(19)21)8-22-15-16-10(2)6-13(20)18-15/h3-7H,8H2,1-2H3,(H,16,18,20).
What are the key properties of 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137242802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).