2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C13H11N5OS — CID 106678774

IUPAC2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESNc1nccnc1SCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H11N5OS/c14-12-13(16-5-4-15-12)20-8-9-7-11(19)18-6-2-1-3-10(18)17-9/h1-7H,8H2,(H2,14,15)
InChIKeyXUNSCWOXMHFLQK-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.36
Rot. Bonds3

About 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 106678774) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID106678774
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESNc1nccnc1SCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H11N5OS/c14-12-13(16-5-4-15-12)20-8-9-7-11(19)18-6-2-1-3-10(18)17-9/h1-7H,8H2,(H2,14,15)
InChIKeyXUNSCWOXMHFLQK-UHFFFAOYSA-N
XLogP1.36
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51259735
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210410
5-acetyl-6-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 18203396
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide
CID 51216871
2-[[2-(furan-2-yl)quinazolin-4-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51297700
2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 18203371
3-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130602
2-[(12-ethyl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 22552342
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216778
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-4-one
CID 20879246
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 4849248
1-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]-3-phenylurea
CID 46331981

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 106678774) is 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Nc1nccnc1SCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XUNSCWOXMHFLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-12-13(16-5-4-15-12)20-8-9-7-11(19)18-6-2-1-3-10(18)17-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 106678774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).