4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine

C17H18N4 — CID 65336645

IUPAC4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine
SMILESCc1cc(C)cc(N(C)c2ncnc3cc(N)ccc23)c1
InChIInChI=1S/C17H18N4/c1-11-6-12(2)8-14(7-11)21(3)17-15-5-4-13(18)9-16(15)19-10-20-17/h4-10H,18H2,1-3H3
InChIKeyVQQIHTPVHOQAGI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.60
Rot. Bonds2

About 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine

4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine (PubChem CID 65336645) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine
PubChem CID65336645
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine
SMILESCc1cc(C)cc(N(C)c2ncnc3cc(N)ccc23)c1
InChIInChI=1S/C17H18N4/c1-11-6-12(2)8-14(7-11)21(3)17-15-5-4-13(18)9-16(15)19-10-20-17/h4-10H,18H2,1-3H3
InChIKeyVQQIHTPVHOQAGI-UHFFFAOYSA-N
XLogP3.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
CID 65336690
4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65337366
4-N-methyl-4-N-(4-methylphenyl)quinazoline-4,6-diamine
CID 64587921
4-methylquinazolin-7-amine
CID 90920738
4-[2-(dimethylamino)ethoxy]quinazolin-7-amine
CID 65336522
4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
CID 141449290
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
CID 106914151
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine
CID 55207910
4-[3-(dimethylamino)propoxy]quinazolin-7-amine
CID 65336571
4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine
CID 46883986
6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 168873008

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine (CID 65336645) is 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine is Cc1cc(C)cc(N(C)c2ncnc3cc(N)ccc23)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine?
The InChIKey is VQQIHTPVHOQAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-6-12(2)8-14(7-11)21(3)17-15-5-4-13(18)9-16(15)19-10-20-17/h4-10H,18H2,1-3H3.
What are the key properties of 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine?
4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine is sourced from PubChem (CID 65336645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).