N-(2,4-dimethylcyclohexyl)quinazolin-4-amine

C16H21N3 — CID 63994918

IUPACN-(2,4-dimethylcyclohexyl)quinazolin-4-amine
SMILESCC1CCC(Nc2ncnc3ccccc23)C(C)C1
InChIInChI=1S/C16H21N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-6,10-12,14H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyMDXMLRQFCZVSGS-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.87
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)quinazolin-4-amine

N-(2,4-dimethylcyclohexyl)quinazolin-4-amine (PubChem CID 63994918) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)quinazolin-4-amine
PubChem CID63994918
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(2,4-dimethylcyclohexyl)quinazolin-4-amine
SMILESCC1CCC(Nc2ncnc3ccccc23)C(C)C1
InChIInChI=1S/C16H21N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-6,10-12,14H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyMDXMLRQFCZVSGS-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylcyclohexyl)quinazolin-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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)quinazolin-4-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)quinazolin-4-amine (CID 63994918) is N-(2,4-dimethylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)quinazolin-4-amine is CC1CCC(Nc2ncnc3ccccc23)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)quinazolin-4-amine?
The InChIKey is MDXMLRQFCZVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-6,10-12,14H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,4-dimethylcyclohexyl)quinazolin-4-amine?
N-(2,4-dimethylcyclohexyl)quinazolin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 63994918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).