4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine

C16H16N4 — CID 65336916

IUPAC4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
SMILESCc1ccccc1CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C16H16N4/c1-11-4-2-3-5-12(11)9-18-16-14-7-6-13(17)8-15(14)19-10-20-16/h2-8,10H,9,17H2,1H3,(H,18,19,20)
InChIKeyOMFCMICOXUPFGM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.13
Rot. Bonds3

About 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine

4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine (PubChem CID 65336916) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
PubChem CID65336916
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
SMILESCc1ccccc1CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C16H16N4/c1-11-4-2-3-5-12(11)9-18-16-14-7-6-13(17)8-15(14)19-10-20-16/h2-8,10H,9,17H2,1H3,(H,18,19,20)
InChIKeyOMFCMICOXUPFGM-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine
CID 114954524
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
2-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79885847
4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine
CID 106414475
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-[(4-bromothiophen-2-yl)methyl]quinazoline-4,7-diamine
CID 65336460

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine (CID 65336916) is 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine is Cc1ccccc1CNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine?
The InChIKey is OMFCMICOXUPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-4-2-3-5-12(11)9-18-16-14-7-6-13(17)8-15(14)19-10-20-16/h2-8,10H,9,17H2,1H3,(H,18,19,20).
What are the key properties of 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine?
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine is sourced from PubChem (CID 65336916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).