N-(4-propylcycloheptyl)pyrimidin-5-amine

C14H23N3 — CID 107588235

IUPACN-(4-propylcycloheptyl)pyrimidin-5-amine
SMILESCCCC1CCCC(Nc2cncnc2)CC1
InChIInChI=1S/C14H23N3/c1-2-4-12-5-3-6-13(8-7-12)17-14-9-15-11-16-10-14/h9-13,17H,2-8H2,1H3
InChIKeyOPNYPYSGIXFOAN-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.64
Rot. Bonds4

About N-(4-propylcycloheptyl)pyrimidin-5-amine

N-(4-propylcycloheptyl)pyrimidin-5-amine (PubChem CID 107588235) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(4-propylcycloheptyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-propylcycloheptyl)pyrimidin-5-amine
PubChem CID107588235
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(4-propylcycloheptyl)pyrimidin-5-amine
SMILESCCCC1CCCC(Nc2cncnc2)CC1
InChIInChI=1S/C14H23N3/c1-2-4-12-5-3-6-13(8-7-12)17-14-9-15-11-16-10-14/h9-13,17H,2-8H2,1H3
InChIKeyOPNYPYSGIXFOAN-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-propylcycloheptyl)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-(4-propylcycloheptyl)pyrimidin-5-amine?
The IUPAC name of N-(4-propylcycloheptyl)pyrimidin-5-amine (CID 107588235) is N-(4-propylcycloheptyl)pyrimidin-5-amine.
What is the SMILES notation for N-(4-propylcycloheptyl)pyrimidin-5-amine?
The canonical SMILES for N-(4-propylcycloheptyl)pyrimidin-5-amine is CCCC1CCCC(Nc2cncnc2)CC1.
What is the InChIKey of N-(4-propylcycloheptyl)pyrimidin-5-amine?
The InChIKey is OPNYPYSGIXFOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-4-12-5-3-6-13(8-7-12)17-14-9-15-11-16-10-14/h9-13,17H,2-8H2,1H3.
What are the key properties of N-(4-propylcycloheptyl)pyrimidin-5-amine?
N-(4-propylcycloheptyl)pyrimidin-5-amine has a molecular weight of 233.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcycloheptyl)pyrimidin-5-amine is sourced from PubChem (CID 107588235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).