5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine

C21H20ClN3 — CID 134144066

IUPAC5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine
SMILESClc1cccc(-c2cnc(NC3CCCC3)nc2-c2ccccc2)c1
InChIInChI=1S/C21H20ClN3/c22-17-10-6-9-16(13-17)19-14-23-21(24-18-11-4-5-12-18)25-20(19)15-7-2-1-3-8-15/h1-3,6-10,13-14,18H,4-5,11-12H2,(H,23,24,25)
InChIKeyMOKKPGYJRAMITH-UHFFFAOYSA-N
MW349.87 g/mol
LogP5.82
Rot. Bonds4

About 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine

5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine (PubChem CID 134144066) has the molecular formula C21H20ClN3 and a molecular weight of 349.87 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine
PubChem CID134144066
Molecular FormulaC21H20ClN3
Molecular Weight349.87 g/mol
Exact Mass349.13
IUPAC Name5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine
SMILESClc1cccc(-c2cnc(NC3CCCC3)nc2-c2ccccc2)c1
InChIInChI=1S/C21H20ClN3/c22-17-10-6-9-16(13-17)19-14-23-21(24-18-11-4-5-12-18)25-20(19)15-7-2-1-3-8-15/h1-3,6-10,13-14,18H,4-5,11-12H2,(H,23,24,25)
InChIKeyMOKKPGYJRAMITH-UHFFFAOYSA-N
XLogP5.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine (CID 134144066) is 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine is Clc1cccc(-c2cnc(NC3CCCC3)nc2-c2ccccc2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine?
The InChIKey is MOKKPGYJRAMITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3/c22-17-10-6-9-16(13-17)19-14-23-21(24-18-11-4-5-12-18)25-20(19)15-7-2-1-3-8-15/h1-3,6-10,13-14,18H,4-5,11-12H2,(H,23,24,25).
What are the key properties of 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine?
5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine has a molecular weight of 349.87 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-cyclopentyl-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 134144066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).