N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine

C14H16FN3 — CID 133398560

IUPACN-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
SMILESCN(CCC1CC1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C14H16FN3/c1-18(7-6-10-2-3-10)14-12-8-11(15)4-5-13(12)16-9-17-14/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyCPYYUXAGYXIQBS-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.01
Rot. Bonds4

About N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine

N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine (PubChem CID 133398560) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
PubChem CID133398560
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine
SMILESCN(CCC1CC1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C14H16FN3/c1-18(7-6-10-2-3-10)14-12-8-11(15)4-5-13(12)16-9-17-14/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyCPYYUXAGYXIQBS-UHFFFAOYSA-N
XLogP3.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-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-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine (CID 133398560) is N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine is CN(CCC1CC1)c1ncnc2ccc(F)cc12.
What is the InChIKey of N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine?
The InChIKey is CPYYUXAGYXIQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18(7-6-10-2-3-10)14-12-8-11(15)4-5-13(12)16-9-17-14/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine?
N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-6-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 133398560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).