1,4-dihydroquinazolin-2-amine

C8H9N3 — CID 12628906

IUPAC1,4-dihydroquinazolin-2-amine
SMILESNC1=NCc2ccccc2N1
InChIInChI=1S/C8H9N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H3,9,10,11)
InChIKeyGQRRWNLARRRPRY-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.93
Rot. Bonds

About 1,4-dihydroquinazolin-2-amine

1,4-dihydroquinazolin-2-amine (PubChem CID 12628906) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1,4-dihydroquinazolin-2-amine.

Molecular Properties

Compound Name1,4-dihydroquinazolin-2-amine
PubChem CID12628906
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1,4-dihydroquinazolin-2-amine
SMILESNC1=NCc2ccccc2N1
InChIInChI=1S/C8H9N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H3,9,10,11)
InChIKeyGQRRWNLARRRPRY-UHFFFAOYSA-N
XLogP0.93
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,4-dihydroquinazolin-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

Related Compounds

Diphenylguanidine
CID 7594
Di-o-tolylguanidine
CID 7333
N'-(2,4-dimethylphenyl)-N-methylformamidine
CID 36326
Tramazoline
CID 5524
2-Aminoperimidine
CID 112416
Flutonidine
CID 65761
4-Quinazolinethiol
CID 736090
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
2-Methylquinazoline-4-thiol
CID 727351
Imidazolidine, 2-(2-methylphenylimino)-
CID 142067
Tramazoline Hydrochloride
CID 443950
N,N'-Bis-(4-hexyl-phenyl)-guanidine
CID 9821194

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroquinazolin-2-amine?
The IUPAC name of 1,4-dihydroquinazolin-2-amine (CID 12628906) is 1,4-dihydroquinazolin-2-amine.
What is the SMILES notation for 1,4-dihydroquinazolin-2-amine?
The canonical SMILES for 1,4-dihydroquinazolin-2-amine is NC1=NCc2ccccc2N1.
What is the InChIKey of 1,4-dihydroquinazolin-2-amine?
The InChIKey is GQRRWNLARRRPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H3,9,10,11).
What are the key properties of 1,4-dihydroquinazolin-2-amine?
1,4-dihydroquinazolin-2-amine has a molecular weight of 147.18 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinazolin-2-amine is sourced from PubChem (CID 12628906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).