N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine

C19H20FN5 — CID 92567499

IUPACN-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
SMILESCn1ccnc1-c1nc(NC2CCCC2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN5/c1-25-11-10-21-18(25)17-16(13-6-8-14(20)9-7-13)12-22-19(24-17)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23,24)
InChIKeyFMLYURNVSNMTHW-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.04
Rot. Bonds4

About N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine

N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine (PubChem CID 92567499) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
PubChem CID92567499
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC NameN-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
SMILESCn1ccnc1-c1nc(NC2CCCC2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN5/c1-25-11-10-21-18(25)17-16(13-6-8-14(20)9-7-13)12-22-19(24-17)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23,24)
InChIKeyFMLYURNVSNMTHW-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine (CID 92567499) is N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine is Cn1ccnc1-c1nc(NC2CCCC2)ncc1-c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The InChIKey is FMLYURNVSNMTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-25-11-10-21-18(25)17-16(13-6-8-14(20)9-7-13)12-22-19(24-17)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,22,23,24).
What are the key properties of N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine has a molecular weight of 337.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 92567499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).