2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride

C16H18ClN5 — CID 2972188

IUPAC2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride
SMILESCN(C)c1ccc(Nc2nc(N)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C16H17N5.ClH/c1-21(2)12-9-7-11(8-10-12)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-10H,1-2H3,(H3,17,18,19,20);1H
InChIKeyQOCBEHHYUJMWGW-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.44
Rot. Bonds3

About 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride

2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride (PubChem CID 2972188) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride
PubChem CID2972188
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride
SMILESCN(C)c1ccc(Nc2nc(N)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C16H17N5.ClH/c1-21(2)12-9-7-11(8-10-12)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-10H,1-2H3,(H3,17,18,19,20);1H
InChIKeyQOCBEHHYUJMWGW-UHFFFAOYSA-N
XLogP3.44
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;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-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride (CID 2972188) is 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride is CN(C)c1ccc(Nc2nc(N)c3ccccc3n2)cc1.Cl.
What is the InChIKey of 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride?
The InChIKey is QOCBEHHYUJMWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5.ClH/c1-21(2)12-9-7-11(8-10-12)18-16-19-14-6-4-3-5-13(14)15(17)20-16;/h3-10H,1-2H3,(H3,17,18,19,20);1H.
What are the key properties of 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride?
2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride has a molecular weight of 315.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)phenyl]quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 2972188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).