2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride

C10H14ClN3 — CID 67569975

IUPAC2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride
SMILESCC1(C)N=C(N)c2ccccc2N1.Cl
InChIInChI=1S/C10H13N3.ClH/c1-10(2)12-8-6-4-3-5-7(8)9(11)13-10;/h3-6,12H,1-2H3,(H2,11,13);1H
InChIKeyQUJSMOIAFOKMIB-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.98
Rot. Bonds

About 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride

2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride (PubChem CID 67569975) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride
PubChem CID67569975
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride
SMILESCC1(C)N=C(N)c2ccccc2N1.Cl
InChIInChI=1S/C10H13N3.ClH/c1-10(2)12-8-6-4-3-5-7(8)9(11)13-10;/h3-6,12H,1-2H3,(H2,11,13);1H
InChIKeyQUJSMOIAFOKMIB-UHFFFAOYSA-N
XLogP1.98
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride 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 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride?
The IUPAC name of 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride (CID 67569975) is 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride?
The canonical SMILES for 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride is CC1(C)N=C(N)c2ccccc2N1.Cl.
What is the InChIKey of 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride?
The InChIKey is QUJSMOIAFOKMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.ClH/c1-10(2)12-8-6-4-3-5-7(8)9(11)13-10;/h3-6,12H,1-2H3,(H2,11,13);1H.
What are the key properties of 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride?
2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride has a molecular weight of 211.70 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 67569975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).