2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine

C13H19N3S — CID 114207246

IUPAC2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine
SMILESNc1cnc(CSC2CCCC2)nc1C1CC1
InChIInChI=1S/C13H19N3S/c14-11-7-15-12(16-13(11)9-5-6-9)8-17-10-3-1-2-4-10/h7,9-10H,1-6,8,14H2
InChIKeyMUNRSBLLFBLINO-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.11
Rot. Bonds4

About 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine

2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine (PubChem CID 114207246) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine
PubChem CID114207246
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine
SMILESNc1cnc(CSC2CCCC2)nc1C1CC1
InChIInChI=1S/C13H19N3S/c14-11-7-15-12(16-13(11)9-5-6-9)8-17-10-3-1-2-4-10/h7,9-10H,1-6,8,14H2
InChIKeyMUNRSBLLFBLINO-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine (CID 114207246) is 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine is Nc1cnc(CSC2CCCC2)nc1C1CC1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine?
The InChIKey is MUNRSBLLFBLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c14-11-7-15-12(16-13(11)9-5-6-9)8-17-10-3-1-2-4-10/h7,9-10H,1-6,8,14H2.
What are the key properties of 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine?
2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine has a molecular weight of 249.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine is sourced from PubChem (CID 114207246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).