6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine

C16H18ClN3 — CID 71428128

IUPAC6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine
SMILESCc1nc(Cl)c(-c2ccccc2)c(NC2CCCC2)n1
InChIInChI=1S/C16H18ClN3/c1-11-18-15(17)14(12-7-3-2-4-8-12)16(19-11)20-13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyPWGWPBBSABRTPY-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.46
Rot. Bonds3

About 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine

6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine (PubChem CID 71428128) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine
PubChem CID71428128
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine
SMILESCc1nc(Cl)c(-c2ccccc2)c(NC2CCCC2)n1
InChIInChI=1S/C16H18ClN3/c1-11-18-15(17)14(12-7-3-2-4-8-12)16(19-11)20-13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyPWGWPBBSABRTPY-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine (CID 71428128) is 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine is Cc1nc(Cl)c(-c2ccccc2)c(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine?
The InChIKey is PWGWPBBSABRTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-11-18-15(17)14(12-7-3-2-4-8-12)16(19-11)20-13-9-5-6-10-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine?
6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine is sourced from PubChem (CID 71428128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).