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

C20H18N6O2 — CID 155553202

IUPACN-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(NCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C20H18N6O2/c1-28-15-10-6-5-9-14(15)19(27)26-20-24-17(16-18(25-20)23-12-22-16)21-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H3,21,22,23,24,25,26,27)
InChIKeyRAJZKTIEHVSTHQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.23
Rot. Bonds6

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

N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide (PubChem CID 155553202) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide
PubChem CID155553202
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(NCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C20H18N6O2/c1-28-15-10-6-5-9-14(15)19(27)26-20-24-17(16-18(25-20)23-12-22-16)21-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H3,21,22,23,24,25,26,27)
InChIKeyRAJZKTIEHVSTHQ-UHFFFAOYSA-N
XLogP3.23
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Tenalisib
CID 86291103
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 117779854
N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 1509330
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
9-[(2-methoxyphenyl)methyl]-N-methyl-2-propylpurin-6-amine
CID 9818203
9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine
CID 10881731
2-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11111280
N-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-isobutyramide
CID 16066740
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethoxybenzamide
CID 44591559

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide (CID 155553202) is N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc(NCc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide?
The InChIKey is RAJZKTIEHVSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-28-15-10-6-5-9-14(15)19(27)26-20-24-17(16-18(25-20)23-12-22-16)21-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H3,21,22,23,24,25,26,27).
What are the key properties of N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide?
N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide has a molecular weight of 374.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-7H-purin-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 155553202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).