4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one

C13H14N6OS — CID 135473743

IUPAC4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)n2cc(CSc3nc(N)cc(=O)[nH]3)nc2n1
InChIInChI=1S/C13H14N6OS/c1-7-3-8(2)19-5-9(16-12(19)15-7)6-21-13-17-10(14)4-11(20)18-13/h3-5H,6H2,1-2H3,(H3,14,17,18,20)
InChIKeyFYBYYWHQJOAUTF-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.30
Rot. Bonds3

About 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135473743) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135473743
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)n2cc(CSc3nc(N)cc(=O)[nH]3)nc2n1
InChIInChI=1S/C13H14N6OS/c1-7-3-8(2)19-5-9(16-12(19)15-7)6-21-13-17-10(14)4-11(20)18-13/h3-5H,6H2,1-2H3,(H3,14,17,18,20)
InChIKeyFYBYYWHQJOAUTF-UHFFFAOYSA-N
XLogP1.30
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(5-aminopyrazin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136980695
4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135500710
2-chloro-4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]aniline
CID 79131278
4-amino-2-[(5-aminopyrazin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136726580
4-amino-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 135772618
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
CID 77060718
4-amino-2-[(2,4-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473640
4-amino-2-benzylsulfanyl-1H-pyrimidin-6-one
CID 135412524
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol
CID 112695433
4-amino-2-(2-bromoethylsulfanyl)-1H-pyrimidin-6-one
CID 135703673
4-methyl-2-[(4-methyl-2-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135559183

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 135473743) is 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(C)n2cc(CSc3nc(N)cc(=O)[nH]3)nc2n1.
What is the InChIKey of 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is FYBYYWHQJOAUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-7-3-8(2)19-5-9(16-12(19)15-7)6-21-13-17-10(14)4-11(20)18-13/h3-5H,6H2,1-2H3,(H3,14,17,18,20).
What are the key properties of 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 302.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135473743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).