2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine

C10H15N3S — CID 83852227

IUPAC2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine
SMILESCSc1nc(C2CC2)ncc1CCN
InChIInChI=1S/C10H15N3S/c1-14-10-8(4-5-11)6-12-9(13-10)7-2-3-7/h6-7H,2-5,11H2,1H3
InChIKeyGXVHQFLPBOMWEQ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.58
Rot. Bonds4

About 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine

2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine (PubChem CID 83852227) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine
PubChem CID83852227
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine
SMILESCSc1nc(C2CC2)ncc1CCN
InChIInChI=1S/C10H15N3S/c1-14-10-8(4-5-11)6-12-9(13-10)7-2-3-7/h6-7H,2-5,11H2,1H3
InChIKeyGXVHQFLPBOMWEQ-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopropylpyrimidin-5-yl)ethanamine
CID 62757903
4-methyl-5-propyl-2-(4-propylcyclohexyl)pyrimidine
CID 70493707
2-(5-bromo-2-cyclopentylpyrimidin-4-yl)ethanamine
CID 83903387
5-bromo-2-cyclopropyl-4-ethylpyrimidine
CID 82374760
(4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine
CID 83852073
5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine
CID 170869062
N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212128
2-cyclobutyl-4-methylsulfanylpyrimidine-5-carboxylic acid
CID 83852465
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852150
4-(3-aminopropyl)-2-cyclopropylpyrimidin-5-ol
CID 83878403
(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)methanol
CID 126974115

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine (CID 83852227) is 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine is CSc1nc(C2CC2)ncc1CCN.
What is the InChIKey of 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine?
The InChIKey is GXVHQFLPBOMWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-14-10-8(4-5-11)6-12-9(13-10)7-2-3-7/h6-7H,2-5,11H2,1H3.
What are the key properties of 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine?
2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine has a molecular weight of 209.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 83852227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).