4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C13H12ClFN4 — CID 94674065

IUPAC4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESFc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)nc1
InChIInChI=1S/C13H12ClFN4/c14-12-9-3-1-2-4-10(9)17-13(19-12)18-11-6-5-8(15)7-16-11/h5-7H,1-4H2,(H,16,17,18,19)
InChIKeyPGNNEFGFDPLHHY-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.29
Rot. Bonds2

About 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine

4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 94674065) has the molecular formula C13H12ClFN4 and a molecular weight of 278.72 g/mol. Its IUPAC name is 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID94674065
Molecular FormulaC13H12ClFN4
Molecular Weight278.72 g/mol
Exact Mass278.07
IUPAC Name4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESFc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)nc1
InChIInChI=1S/C13H12ClFN4/c14-12-9-3-1-2-4-10(9)17-13(19-12)18-11-6-5-8(15)7-16-11/h5-7H,1-4H2,(H,16,17,18,19)
InChIKeyPGNNEFGFDPLHHY-UHFFFAOYSA-N
XLogP3.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-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 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 94674065) is 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine is Fc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)nc1.
What is the InChIKey of 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is PGNNEFGFDPLHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4/c14-12-9-3-1-2-4-10(9)17-13(19-12)18-11-6-5-8(15)7-16-11/h5-7H,1-4H2,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 278.72 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-fluoro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 94674065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).