N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine

C13H20FN3 — CID 115417192

IUPACN-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)CN(c1cc(F)ncn1)C1CCCC1
InChIInChI=1S/C13H20FN3/c1-10(2)8-17(11-5-3-4-6-11)13-7-12(14)15-9-16-13/h7,9-11H,3-6,8H2,1-2H3
InChIKeyFKYXWAAHTJZCHI-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.02
Rot. Bonds4

About N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine

N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 115417192) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine
PubChem CID115417192
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)CN(c1cc(F)ncn1)C1CCCC1
InChIInChI=1S/C13H20FN3/c1-10(2)8-17(11-5-3-4-6-11)13-7-12(14)15-9-16-13/h7,9-11H,3-6,8H2,1-2H3
InChIKeyFKYXWAAHTJZCHI-UHFFFAOYSA-N
XLogP3.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416474
4-(aminomethyl)-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114926791
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80855037
N-cyclopentyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 107380576
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
N-(2-chloroethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 55184049
N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 80677181
N-cyclopentyl-6-hydrazinyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968904
2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766447
6-chloro-N-cyclohexyl-N-ethylpyrimidin-4-amine
CID 53410294
2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde
CID 113387676
5-chloro-1-N-cyclopentyl-6-fluoro-1-N-(2-methylpropyl)benzene-1,2,4-triamine
CID 103553299

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine (CID 115417192) is N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine is CC(C)CN(c1cc(F)ncn1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is FKYXWAAHTJZCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-10(2)8-17(11-5-3-4-6-11)13-7-12(14)15-9-16-13/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine?
N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 237.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 115417192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).