1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine

C10H15N3S — CID 105463490

IUPAC1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine
SMILESCSc1nccc(CCC2(N)CC2)n1
InChIInChI=1S/C10H15N3S/c1-14-9-12-7-3-8(13-9)2-4-10(11)5-6-10/h3,7H,2,4-6,11H2,1H3
InChIKeyHMLSGHMOFBHGOW-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine

1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine (PubChem CID 105463490) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine
PubChem CID105463490
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine
SMILESCSc1nccc(CCC2(N)CC2)n1
InChIInChI=1S/C10H15N3S/c1-14-9-12-7-3-8(13-9)2-4-10(11)5-6-10/h3,7H,2,4-6,11H2,1H3
InChIKeyHMLSGHMOFBHGOW-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-Butylpyrimidin-2-amine
CID 12450631
4-Cyclopropylpyrimidin-2-amine
CID 3299593
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-Tert-butyl-2-(methylthio)pyrimidine
CID 12450623
4-Isobutylpyrimidine
CID 565104
4-Cyclohexylpyrimidine
CID 11672715
4-(Propan-2-yl)pyrimidin-2-amine
CID 14639241
4-Cyclobutylpyrimidin-2-amine
CID 49758446
4-Butylpyrimidin-2-amine
CID 68303122
4-Cyclopropyl-2-methanesulfonylpyrimidine
CID 83880313
N,4-ditert-butylpyrimidin-2-amine
CID 12450630
4-Cyclopropyl-2-(methylthio)pyrimidine
CID 46739896

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine (CID 105463490) is 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine is CSc1nccc(CCC2(N)CC2)n1.
What is the InChIKey of 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine?
The InChIKey is HMLSGHMOFBHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-14-9-12-7-3-8(13-9)2-4-10(11)5-6-10/h3,7H,2,4-6,11H2,1H3.
What are the key properties of 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine?
1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine has a molecular weight of 209.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylsulfanylpyrimidin-4-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105463490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).