(4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine

C9H13N3S — CID 83915771

IUPAC(4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine
SMILESCSc1cc(C2CC2)nc(CN)n1
InChIInChI=1S/C9H13N3S/c1-13-9-4-7(6-2-3-6)11-8(5-10)12-9/h4,6H,2-3,5,10H2,1H3
InChIKeyJWQSGCWIKTWQIV-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.53
Rot. Bonds3

About (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine

(4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine (PubChem CID 83915771) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine
PubChem CID83915771
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name(4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine
SMILESCSc1cc(C2CC2)nc(CN)n1
InChIInChI=1S/C9H13N3S/c1-13-9-4-7(6-2-3-6)11-8(5-10)12-9/h4,6H,2-3,5,10H2,1H3
InChIKeyJWQSGCWIKTWQIV-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 ≤ 500195.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine
CID 83915885
2-(2-cyclobutyl-6-methylsulfanylpyrimidin-4-yl)ethanamine
CID 83852446
(2-cyclopropyl-6-methyl-4-pyridinyl)methanamine;hydrochloride
CID 138109557
4-(aminomethyl)-6-cyclopropylpyrimidin-2-amine
CID 83851798
2-(2-aminoethyl)-6-cyclopropylpyrimidin-4-amine;hydrochloride
CID 82393941
N-[(4,6-dicyclopropylpyrimidin-2-yl)methyl]ethanamine
CID 63319052
3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine
CID 63318793
[6-cyclopropyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65129298
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)-2-methylpropan-2-amine
CID 116892859
2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine
CID 65144022
(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride
CID 126566751

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine?
The IUPAC name of (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine (CID 83915771) is (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine is CSc1cc(C2CC2)nc(CN)n1.
What is the InChIKey of (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine?
The InChIKey is JWQSGCWIKTWQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-13-9-4-7(6-2-3-6)11-8(5-10)12-9/h4,6H,2-3,5,10H2,1H3.
What are the key properties of (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine?
(4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine has a molecular weight of 195.29 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 (4-cyclopropyl-6-methylsulfanylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 83915771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).