5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one

C6H10N4OS — CID 135627707

IUPAC5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCNc1nc(SC)[nH]c(=O)c1N
InChIInChI=1S/C6H10N4OS/c1-8-4-3(7)5(11)10-6(9-4)12-2/h7H2,1-2H3,(H2,8,9,10,11)
InChIKeyRLOJLXKTJLYVMR-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.12
Rot. Bonds2

About 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one

5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135627707) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135627707
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCNc1nc(SC)[nH]c(=O)c1N
InChIInChI=1S/C6H10N4OS/c1-8-4-3(7)5(11)10-6(9-4)12-2/h7H2,1-2H3,(H2,8,9,10,11)
InChIKeyRLOJLXKTJLYVMR-UHFFFAOYSA-N
XLogP0.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-hydroxy-2-(methylthio)-4-pyrimidinecarboxamide
CID 135427552
5,6-Diamino-4-hydroxy-2-methylthiopyrimidine
CID 135474963
5-Amino-4-hydroxy-6-(methylamino)pyrimidine
CID 135500477
Pyrimidine, 2,5-diamino-3,4-dihydro-6-methylamino-4-oxo-
CID 135850747
3-Methyl-6-(methylamino)-2-(methylthio)-5-nitroso-4(3H)-pyrimidinone
CID 245201
N-(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)formamide
CID 245692
5,6-Diamino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
CID 181605
6-Amino-5-(methylideneamino)-2-(methylsulfanyl)pyrimidin-4(1H)-one
CID 136235091
5-Amino-6-methyl-2-(methylthio)-4(3H)-pyrimidinone
CID 135703379
5,6-Diamino-2-methylsulfanyl-pyrimidin-4-ol dihydrochloride
CID 136070709
4,5-diamino-2-ethylsulfanyl-1H-pyrimidin-6-one
CID 136302199
4-(methylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
CID 136597519

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135627707) is 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one is CNc1nc(SC)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is RLOJLXKTJLYVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-8-4-3(7)5(11)10-6(9-4)12-2/h7H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one?
5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 186.24 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(methylamino)-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135627707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).