2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C14H13N5OS — CID 51216891

IUPAC2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N)nc(SCc2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C14H13N5OS/c1-9-6-11(15)18-14(16-9)21-8-10-7-13(20)19-5-3-2-4-12(19)17-10/h2-7H,8H2,1H3,(H2,15,16,18)
InChIKeyFBWGEEXNWBSDFV-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.67
Rot. Bonds3

About 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51216891) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51216891
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N)nc(SCc2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C14H13N5OS/c1-9-6-11(15)18-14(16-9)21-8-10-7-13(20)19-5-3-2-4-12(19)17-10/h2-7H,8H2,1H3,(H2,15,16,18)
InChIKeyFBWGEEXNWBSDFV-UHFFFAOYSA-N
XLogP1.67
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 51216891) is 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(N)nc(SCc2cc(=O)n3ccccc3n2)n1.
What is the InChIKey of 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FBWGEEXNWBSDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-6-11(15)18-14(16-9)21-8-10-7-13(20)19-5-3-2-4-12(19)17-10/h2-7H,8H2,1H3,(H2,15,16,18).
What are the key properties of 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 299.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51216891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).