2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine

C16H16N4 — CID 80761758

IUPAC2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C16H16N4/c1-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19-16(17-2)20-15/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyAWDTUYCDYFEKKP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.72
Rot. Bonds3

About 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine

2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine (PubChem CID 80761758) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
PubChem CID80761758
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C16H16N4/c1-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19-16(17-2)20-15/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyAWDTUYCDYFEKKP-UHFFFAOYSA-N
XLogP3.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-fluoro-4-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750621
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
CID 86199310
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
methyl 3-[[4-(4-methylanilino)quinazolin-2-yl]amino]benzoate
CID 71690613
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
4-N-(4-fluoro-2-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750488

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine (CID 80761758) is 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine is CNc1nc(Nc2ccc(C)cc2)c2ccccc2n1.
What is the InChIKey of 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is AWDTUYCDYFEKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19-16(17-2)20-15/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine?
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80761758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).