N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine

C17H17N3 — CID 720610

IUPACN-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(Nc3ccc(C)c(C)c3)c2c1
InChIInChI=1S/C17H17N3/c1-11-4-7-16-15(8-11)17(19-10-18-16)20-14-6-5-12(2)13(3)9-14/h4-10H,1-3H3,(H,18,19,20)
InChIKeyRPNYYQCXJXDGDW-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.30
Rot. Bonds2

About N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine

N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine (PubChem CID 720610) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
PubChem CID720610
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(Nc3ccc(C)c(C)c3)c2c1
InChIInChI=1S/C17H17N3/c1-11-4-7-16-15(8-11)17(19-10-18-16)20-14-6-5-12(2)13(3)9-14/h4-10H,1-3H3,(H,18,19,20)
InChIKeyRPNYYQCXJXDGDW-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Aminoquinazoline
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Spautin-1
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Ngd-8243
CID 11247522
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
N-(3-bromophenyl)benzo[g]quinazolin-4-amine
CID 5328245

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine (CID 720610) is N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine is Cc1ccc2ncnc(Nc3ccc(C)c(C)c3)c2c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine?
The InChIKey is RPNYYQCXJXDGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-4-7-16-15(8-11)17(19-10-18-16)20-14-6-5-12(2)13(3)9-14/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine?
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 720610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).