6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine

C16H17N5O — CID 44533101

IUPAC6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
SMILESCOc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C16H17N5O/c1-22-12-5-2-10(3-6-12)9-19-11-4-7-14-13(8-11)15(17)21-16(18)20-14/h2-8,19H,9H2,1H3,(H4,17,18,20,21)
InChIKeyRQSBJSIIKPEFOX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.41
Rot. Bonds4

About 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine

6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine (PubChem CID 44533101) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
PubChem CID44533101
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
SMILESCOc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C16H17N5O/c1-22-12-5-2-10(3-6-12)9-19-11-4-7-14-13(8-11)15(17)21-16(18)20-14/h2-8,19H,9H2,1H3,(H4,17,18,20,21)
InChIKeyRQSBJSIIKPEFOX-UHFFFAOYSA-N
XLogP2.41
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (2R)-2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
CID 44570511
3-[4-[(2,4-diaminoquinazolin-6-yl)methylamino]-2,6-dimethoxyphenoxy]propanoic acid;dihydrochloride
CID 134114923
5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid
CID 167800698
6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine
CID 59099570
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol
CID 86107032
N-[(4-aminophenyl)methyl]-2-(4-methoxyphenyl)-3H-benzimidazol-5-amine
CID 139827139
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
CID 177043715
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
2-(aminomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68516812

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine?
The IUPAC name of 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine (CID 44533101) is 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine.
What is the SMILES notation for 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine?
The canonical SMILES for 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine is COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1.
What is the InChIKey of 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine?
The InChIKey is RQSBJSIIKPEFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-12-5-2-10(3-6-12)9-19-11-4-7-14-13(8-11)15(17)21-16(18)20-14/h2-8,19H,9H2,1H3,(H4,17,18,20,21).
What are the key properties of 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine?
6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine has a molecular weight of 295.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine is sourced from PubChem (CID 44533101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).