4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine

C9H15N3S — CID 115637582

IUPAC4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
SMILESCSCC(C)Nc1nccc(C)n1
InChIInChI=1S/C9H15N3S/c1-7-4-5-10-9(11-7)12-8(2)6-13-3/h4-5,8H,6H2,1-3H3,(H,10,11,12)
InChIKeyXHQMGJHQGNXSGI-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.95
Rot. Bonds4

About 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine

4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine (PubChem CID 115637582) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
PubChem CID115637582
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
SMILESCSCC(C)Nc1nccc(C)n1
InChIInChI=1S/C9H15N3S/c1-7-4-5-10-9(11-7)12-8(2)6-13-3/h4-5,8H,6H2,1-3H3,(H,10,11,12)
InChIKeyXHQMGJHQGNXSGI-UHFFFAOYSA-N
XLogP1.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-2-amine
CID 62959456
4-(4-fluorophenoxy)-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 133311843
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-methylpyrimidin-2-amine
CID 133309382
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
2-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 62959080
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine
CID 65029267

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine (CID 115637582) is 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine is CSCC(C)Nc1nccc(C)n1.
What is the InChIKey of 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is XHQMGJHQGNXSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-4-5-10-9(11-7)12-8(2)6-13-3/h4-5,8H,6H2,1-3H3,(H,10,11,12).
What are the key properties of 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine?
4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 115637582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).