1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine

C8H11N3S — CID 96745334

IUPAC1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine
SMILESCSc1nccc(C2(N)CC2)n1
InChIInChI=1S/C8H11N3S/c1-12-7-10-5-2-6(11-7)8(9)3-4-8/h2,5H,3-4,9H2,1H3
InChIKeyHXOMKSWQFRSJDZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.15
Rot. Bonds2

About 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine

1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine (PubChem CID 96745334) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine
PubChem CID96745334
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine
SMILESCSc1nccc(C2(N)CC2)n1
InChIInChI=1S/C8H11N3S/c1-12-7-10-5-2-6(11-7)8(9)3-4-8/h2,5H,3-4,9H2,1H3
InChIKeyHXOMKSWQFRSJDZ-UHFFFAOYSA-N
XLogP1.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine (CID 96745334) is 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine is CSc1nccc(C2(N)CC2)n1.
What is the InChIKey of 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine?
The InChIKey is HXOMKSWQFRSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-12-7-10-5-2-6(11-7)8(9)3-4-8/h2,5H,3-4,9H2,1H3.
What are the key properties of 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine?
1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine has a molecular weight of 181.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpyrimidin-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 96745334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).