[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine

C9H15N3S — CID 130757978

IUPAC[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine
SMILESCSC(C)(C)c1nccc(CN)n1
InChIInChI=1S/C9H15N3S/c1-9(2,13-3)8-11-5-4-7(6-10)12-8/h4-5H,6,10H2,1-3H3
InChIKeyPTHJEYYCWAYORX-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.53
Rot. Bonds3

About [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine

[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine (PubChem CID 130757978) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine
PubChem CID130757978
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine
SMILESCSC(C)(C)c1nccc(CN)n1
InChIInChI=1S/C9H15N3S/c1-9(2,13-3)8-11-5-4-7(6-10)12-8/h4-5H,6,10H2,1-3H3
InChIKeyPTHJEYYCWAYORX-UHFFFAOYSA-N
XLogP1.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine (CID 130757978) is [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine is CSC(C)(C)c1nccc(CN)n1.
What is the InChIKey of [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine?
The InChIKey is PTHJEYYCWAYORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(2,13-3)8-11-5-4-7(6-10)12-8/h4-5H,6,10H2,1-3H3.
What are the key properties of [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine?
[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 130757978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).