4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one

C5H8N4OS — CID 135474963

IUPAC4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C5H8N4OS/c1-11-5-8-3(7)2(6)4(10)9-5/h6H2,1H3,(H3,7,8,9,10)
InChIKeySJSPIVYHDWWPRR-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.34
Rot. Bonds1

About 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one

4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135474963) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135474963
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C5H8N4OS/c1-11-5-8-3(7)2(6)4(10)9-5/h6H2,1H3,(H3,7,8,9,10)
InChIKeySJSPIVYHDWWPRR-UHFFFAOYSA-N
XLogP-0.34
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-2-(methylsulfanyl)-5-nitroso-3,4-dihydropyrimidin-4-one
CID 135408765
5-Amino-6-hydroxy-2-(methylthio)-4-pyrimidinecarboxamide
CID 135427552
5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
CID 181605
6-Amino-5-[(E)-ethylideneamino]-2-(methylsulfanyl)pyrimidin-4(1H)-one
CID 136235090
6-Amino-5-(methylideneamino)-2-(methylsulfanyl)pyrimidin-4(1H)-one
CID 136235091
5-Amino-6-methyl-2-(methylthio)-4(3H)-pyrimidinone
CID 135703379
5-Amino-2-(methylsulfanyl)pyrimidine-4,6-diol
CID 14893042
5-Amino-6-(methylamino)-2-(methylthio)pyrimidin-4(3H)-one
CID 135627707
5,6-Diamino-2-methylsulfanyl-pyrimidin-4-ol dihydrochloride
CID 136070709
4,5-diamino-2-methylsulfonyl-1H-pyrimidin-6-one
CID 136187801
4,5-diamino-2-ethylsulfanyl-1H-pyrimidin-6-one
CID 136302199
5-amino-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
CID 137128536

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135474963) is 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is SJSPIVYHDWWPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-11-5-8-3(7)2(6)4(10)9-5/h6H2,1H3,(H3,7,8,9,10).
What are the key properties of 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one?
4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 172.21 g/mol, XLogP of -0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135474963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).