N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine

C14H14FN3 — CID 107587911

IUPACN-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine
SMILESFc1ccc(C2CC(Nc3cncnc3)C2)cc1
InChIInChI=1S/C14H14FN3/c15-12-3-1-10(2-4-12)11-5-13(6-11)18-14-7-16-9-17-8-14/h1-4,7-9,11,13,18H,5-6H2
InChIKeyCOSDPTHILWKAIG-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.97
Rot. Bonds3

About N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine

N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine (PubChem CID 107587911) has the molecular formula C14H14FN3 and a molecular weight of 243.29 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine
PubChem CID107587911
Molecular FormulaC14H14FN3
Molecular Weight243.29 g/mol
Exact Mass243.12
IUPAC NameN-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine
SMILESFc1ccc(C2CC(Nc3cncnc3)C2)cc1
InChIInChI=1S/C14H14FN3/c15-12-3-1-10(2-4-12)11-5-13(6-11)18-14-7-16-9-17-8-14/h1-4,7-9,11,13,18H,5-6H2
InChIKeyCOSDPTHILWKAIG-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-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-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine?
The IUPAC name of N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine (CID 107587911) is N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine.
What is the SMILES notation for N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine?
The canonical SMILES for N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine is Fc1ccc(C2CC(Nc3cncnc3)C2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine?
The InChIKey is COSDPTHILWKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c15-12-3-1-10(2-4-12)11-5-13(6-11)18-14-7-16-9-17-8-14/h1-4,7-9,11,13,18H,5-6H2.
What are the key properties of N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine?
N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine has a molecular weight of 243.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)cyclobutyl]pyrimidin-5-amine is sourced from PubChem (CID 107587911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).