N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide

C16H15N5O — CID 172623055

IUPACN-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
SMILESNc1nc(N)c2cc(CNC(=O)c3ccccc3)ccc2n1
InChIInChI=1S/C16H15N5O/c17-14-12-8-10(6-7-13(12)20-16(18)21-14)9-19-15(22)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,22)(H4,17,18,20,21)
InChIKeyIFIUMZFZLJJBFY-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.72
Rot. Bonds3

About N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide

N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide (PubChem CID 172623055) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
PubChem CID172623055
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
SMILESNc1nc(N)c2cc(CNC(=O)c3ccccc3)ccc2n1
InChIInChI=1S/C16H15N5O/c17-14-12-8-10(6-7-13(12)20-16(18)21-14)9-19-15(22)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,22)(H4,17,18,20,21)
InChIKeyIFIUMZFZLJJBFY-UHFFFAOYSA-N
XLogP1.72
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623319
N-[(2,4-diaminoquinazolin-6-yl)methyl]-1H-indole-5-carboxamide
CID 172622957
N-[(2-aminoquinazolin-7-yl)methyl]benzamide
CID 172623023
N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
CID 67451670
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine
CID 4039872
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(2,4-diaminoquinazolin-7-yl)methyl]-3H-benzo[e]indole-1-carboxamide
CID 172623034
4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]-N-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]benzamide
CID 58258881
4-(benzamidomethyl)benzoic acid
CID 10879683
(4S)-4-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-5-methoxy-2-methylidene-5-oxopentanoic acid
CID 67963921

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
The IUPAC name of N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide (CID 172623055) is N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide.
What is the SMILES notation for N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
The canonical SMILES for N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide is Nc1nc(N)c2cc(CNC(=O)c3ccccc3)ccc2n1.
What is the InChIKey of N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
The InChIKey is IFIUMZFZLJJBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-14-12-8-10(6-7-13(12)20-16(18)21-14)9-19-15(22)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,22)(H4,17,18,20,21).
What are the key properties of N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide is sourced from PubChem (CID 172623055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).