N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide

C20H16F2N6O2 — CID 155530422

IUPACN-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(NCc2ccc(F)cc2F)c2[nH]cnc2n1
InChIInChI=1S/C20H16F2N6O2/c1-30-15-5-3-2-4-13(15)19(29)28-20-26-17(16-18(27-20)25-10-24-16)23-9-11-6-7-12(21)8-14(11)22/h2-8,10H,9H2,1H3,(H3,23,24,25,26,27,28,29)
InChIKeyMWVBHEHUJZEKBU-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.50
Rot. Bonds6

About N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide

N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide (PubChem CID 155530422) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide
PubChem CID155530422
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC NameN-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(NCc2ccc(F)cc2F)c2[nH]cnc2n1
InChIInChI=1S/C20H16F2N6O2/c1-30-15-5-3-2-4-13(15)19(29)28-20-26-17(16-18(27-20)25-10-24-16)23-9-11-6-7-12(21)8-14(11)22/h2-8,10H,9H2,1H3,(H3,23,24,25,26,27,28,29)
InChIKeyMWVBHEHUJZEKBU-UHFFFAOYSA-N
XLogP3.50
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.50
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
3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 117779854
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 1509330
9-[(2-methoxyphenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10065640
2-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11111280
2-[1-(6-Aminopurin-9-yl)ethyl]-3-(3-fluorophenyl)chromen-4-one
CID 53234922
N-(2,6-dimethylphenyl)-4-[[6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-yl]amino]benzamide
CID 118706737
4-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)benzaldehyde
CID 15604546
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 663726
2-methoxy-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 1509784
N-{2-[(4-acetyl-1-piperazinyl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-methoxybenzamide
CID 2970016

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide (CID 155530422) is N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc(NCc2ccc(F)cc2F)c2[nH]cnc2n1.
What is the InChIKey of N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide?
The InChIKey is MWVBHEHUJZEKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-30-15-5-3-2-4-13(15)19(29)28-20-26-17(16-18(27-20)25-10-24-16)23-9-11-6-7-12(21)8-14(11)22/h2-8,10H,9H2,1H3,(H3,23,24,25,26,27,28,29).
What are the key properties of N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide?
N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide has a molecular weight of 410.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-difluorophenyl)methylamino]-7H-purin-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 155530422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).