4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one

C10H17N3O2S — CID 136805779

IUPAC4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCSCC(C)(O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2S/c1-7-12-8(4-9(14)13-7)11-5-10(2,15)6-16-3/h4,15H,5-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyLZSFMWYIPWOSQI-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.60
Rot. Bonds5

About 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136805779) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136805779
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCSCC(C)(O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2S/c1-7-12-8(4-9(14)13-7)11-5-10(2,15)6-16-3/h4,15H,5-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyLZSFMWYIPWOSQI-UHFFFAOYSA-N
XLogP0.60
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136805779) is 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one is CSCC(C)(O)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LZSFMWYIPWOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-12-8(4-9(14)13-7)11-5-10(2,15)6-16-3/h4,15H,5-6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 243.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).