N-[6-(benzylamino)-7H-purin-2-yl]benzamide

C19H16N6O — CID 155563377

IUPACN-[6-(benzylamino)-7H-purin-2-yl]benzamide
SMILESO=C(Nc1nc(NCc2ccccc2)c2[nH]cnc2n1)c1ccccc1
InChIInChI=1S/C19H16N6O/c26-18(14-9-5-2-6-10-14)25-19-23-16(15-17(24-19)22-12-21-15)20-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,20,21,22,23,24,25,26)
InChIKeyNXAHYBYFRVVHRF-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.22
Rot. Bonds5

About N-[6-(benzylamino)-7H-purin-2-yl]benzamide

N-[6-(benzylamino)-7H-purin-2-yl]benzamide (PubChem CID 155563377) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[6-(benzylamino)-7H-purin-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-7H-purin-2-yl]benzamide
PubChem CID155563377
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[6-(benzylamino)-7H-purin-2-yl]benzamide
SMILESO=C(Nc1nc(NCc2ccccc2)c2[nH]cnc2n1)c1ccccc1
InChIInChI=1S/C19H16N6O/c26-18(14-9-5-2-6-10-14)25-19-23-16(15-17(24-19)22-12-21-15)20-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,20,21,22,23,24,25,26)
InChIKeyNXAHYBYFRVVHRF-UHFFFAOYSA-N
XLogP3.22
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
2-[6-(benzylamino)-7H-purin-2-yl]ethanol
CID 141447659
6-N-benzyl-2-N-[3-(2-methoxyethoxy)phenyl]-7H-purine-2,6-diamine
CID 118426241
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-7H-purine-2,6-diamine
CID 117084912
N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide
CID 118310080
N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47061485
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
6-N-benzyl-2-N-[4-(3-methoxypropoxy)phenyl]-7H-purine-2,6-diamine;1-piperidin-1-ylprop-2-en-1-one
CID 144937307
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155555496
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
benzyl N-(6-chloro-7H-purin-2-yl)carbamate
CID 130581137

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-7H-purin-2-yl]benzamide?
The IUPAC name of N-[6-(benzylamino)-7H-purin-2-yl]benzamide (CID 155563377) is N-[6-(benzylamino)-7H-purin-2-yl]benzamide.
What is the SMILES notation for N-[6-(benzylamino)-7H-purin-2-yl]benzamide?
The canonical SMILES for N-[6-(benzylamino)-7H-purin-2-yl]benzamide is O=C(Nc1nc(NCc2ccccc2)c2[nH]cnc2n1)c1ccccc1.
What is the InChIKey of N-[6-(benzylamino)-7H-purin-2-yl]benzamide?
The InChIKey is NXAHYBYFRVVHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-18(14-9-5-2-6-10-14)25-19-23-16(15-17(24-19)22-12-21-15)20-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,20,21,22,23,24,25,26).
What are the key properties of N-[6-(benzylamino)-7H-purin-2-yl]benzamide?
N-[6-(benzylamino)-7H-purin-2-yl]benzamide has a molecular weight of 344.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-7H-purin-2-yl]benzamide is sourced from PubChem (CID 155563377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).