[1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol

C10H13ClFN3O — CID 79081273

IUPAC[1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESOCC1(Nc2nc(Cl)ncc2F)CCCC1
InChIInChI=1S/C10H13ClFN3O/c11-9-13-5-7(12)8(14-9)15-10(6-16)3-1-2-4-10/h5,16H,1-4,6H2,(H,13,14,15)
InChIKeyZGNJORMRJQXNCW-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.99
Rot. Bonds3

About [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol

[1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 79081273) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID79081273
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name[1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESOCC1(Nc2nc(Cl)ncc2F)CCCC1
InChIInChI=1S/C10H13ClFN3O/c11-9-13-5-7(12)8(14-9)15-10(6-16)3-1-2-4-10/h5,16H,1-4,6H2,(H,13,14,15)
InChIKeyZGNJORMRJQXNCW-UHFFFAOYSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol 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 [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol (CID 79081273) is [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol is OCC1(Nc2nc(Cl)ncc2F)CCCC1.
What is the InChIKey of [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is ZGNJORMRJQXNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-9-13-5-7(12)8(14-9)15-10(6-16)3-1-2-4-10/h5,16H,1-4,6H2,(H,13,14,15).
What are the key properties of [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol?
[1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 245.68 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 79081273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).