N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine

C14H23N3O — CID 72941041

IUPACN-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCCCOC2CCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-12-10-14(17-11-16-12)15-8-5-9-18-13-6-3-4-7-13/h10-11,13H,2-9H2,1H3,(H,15,16,17)
InChIKeyDZPJFUCIBHZRJP-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.80
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine

N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine (PubChem CID 72941041) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine
PubChem CID72941041
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCCCOC2CCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-12-10-14(17-11-16-12)15-8-5-9-18-13-6-3-4-7-13/h10-11,13H,2-9H2,1H3,(H,15,16,17)
InChIKeyDZPJFUCIBHZRJP-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-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-(2-ethoxyethyl)-6-ethylpyrimidin-4-amine
CID 61236272
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine
CID 63870539
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63965722
N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
CID 106012599
6-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 61241083
6-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973152
N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine
CID 65029242
6-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 61241263
2-[2-[(6-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106239747
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine?
The IUPAC name of N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine (CID 72941041) is N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine is CCc1cc(NCCCOC2CCCC2)ncn1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine?
The InChIKey is DZPJFUCIBHZRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-12-10-14(17-11-16-12)15-8-5-9-18-13-6-3-4-7-13/h10-11,13H,2-9H2,1H3,(H,15,16,17).
What are the key properties of N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine?
N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 72941041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).