4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine

C16H16N4 — CID 80761965

IUPAC4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc3ccccc23)c1C
InChIInChI=1S/C16H16N4/c1-10-6-5-9-13(11(10)2)18-15-12-7-3-4-8-14(12)19-16(17)20-15/h3-9H,1-2H3,(H3,17,18,19,20)
InChIKeyNJINICJCLRCQAO-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.57
Rot. Bonds2

About 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine

4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine (PubChem CID 80761965) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
PubChem CID80761965
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc3ccccc23)c1C
InChIInChI=1S/C16H16N4/c1-10-6-5-9-13(11(10)2)18-15-12-7-3-4-8-14(12)19-16(17)20-15/h3-9H,1-2H3,(H3,17,18,19,20)
InChIKeyNJINICJCLRCQAO-UHFFFAOYSA-N
XLogP3.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
N-(2,3-dimethylphenyl)-4-methylquinolin-2-amine;hydrochloride
CID 56728827
N-(2-methylphenyl)phenanthridin-6-amine
CID 3100304
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
4-[2-(2-methylanilino)phenyl]quinazolin-2-amine
CID 70396785
4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
CID 80829921
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
2,3-dimethyl-N-phenylaniline
CID 14952469
4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 80849841

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine (CID 80761965) is 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine is Cc1cccc(Nc2nc(N)nc3ccccc23)c1C.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine?
The InChIKey is NJINICJCLRCQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-10-6-5-9-13(11(10)2)18-15-12-7-3-4-8-14(12)19-16(17)20-15/h3-9H,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine?
4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80761965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).