6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine

C21H18N4 — CID 25337273

IUPAC6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
SMILESCc1ccc2nc(NCc3cccnc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C21H18N4/c1-15-9-10-19-18(12-15)20(17-7-3-2-4-8-17)25-21(24-19)23-14-16-6-5-11-22-13-16/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyHUWJMAWORWXJQT-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.61
Rot. Bonds4

About 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine

6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine (PubChem CID 25337273) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
PubChem CID25337273
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
SMILESCc1ccc2nc(NCc3cccnc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C21H18N4/c1-15-9-10-19-18(12-15)20(17-7-3-2-4-8-17)25-21(24-19)23-14-16-6-5-11-22-13-16/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyHUWJMAWORWXJQT-UHFFFAOYSA-N
XLogP4.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
CID 782171
2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669120
2-N-(2,4-dimethylphenyl)-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937247
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
CID 3851416
4-phenyl-N-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 6407566
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
butan-2-yl 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetate
CID 4729055
6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
CID 3829399

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine?
The IUPAC name of 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine (CID 25337273) is 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine.
What is the SMILES notation for 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine?
The canonical SMILES for 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine is Cc1ccc2nc(NCc3cccnc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine?
The InChIKey is HUWJMAWORWXJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-15-9-10-19-18(12-15)20(17-7-3-2-4-8-17)25-21(24-19)23-14-16-6-5-11-22-13-16/h2-13H,14H2,1H3,(H,23,24,25).
What are the key properties of 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine?
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine is sourced from PubChem (CID 25337273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).