2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one

C10H17N3OS — CID 136977126

IUPAC2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
SMILESCSC(C)(C)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3OS/c1-7-12-8(5-9(14)13-7)11-6-10(2,3)15-4/h5H,6H2,1-4H3,(H2,11,12,13,14)
InChIKeyLGGJOBMOXZEGDB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.63
Rot. Bonds4

About 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one

2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136977126) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136977126
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
SMILESCSC(C)(C)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3OS/c1-7-12-8(5-9(14)13-7)11-6-10(2,3)15-4/h5H,6H2,1-4H3,(H2,11,12,13,14)
InChIKeyLGGJOBMOXZEGDB-UHFFFAOYSA-N
XLogP1.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one (CID 136977126) is 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one is CSC(C)(C)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LGGJOBMOXZEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-12-8(5-9(14)13-7)11-6-10(2,3)15-4/h5H,6H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).