2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide

C15H15N5O4 — CID 118727403

IUPAC2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ncnc3nc[nH]c23)cc1OC
InChIInChI=1S/C15H15N5O4/c1-22-9-5-11(24-3)10(23-2)4-8(9)15(21)20-14-12-13(17-6-16-12)18-7-19-14/h4-7H,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyPTCXNQUAMPSQNB-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.63
Rot. Bonds5

About 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide

2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide (PubChem CID 118727403) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide
PubChem CID118727403
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ncnc3nc[nH]c23)cc1OC
InChIInChI=1S/C15H15N5O4/c1-22-9-5-11(24-3)10(23-2)4-8(9)15(21)20-14-12-13(17-6-16-12)18-7-19-14/h4-7H,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyPTCXNQUAMPSQNB-UHFFFAOYSA-N
XLogP1.63
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Purine-2,6-diamine, 8-(3,4,5-trimethoxyphenyl)-
CID 473569
3,4-dimethoxy-N-(9H-purin-6-yl)benzamide
CID 118727390
2,5-dimethoxy-N-(9H-purin-6-yl)benzamide
CID 118727392
2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide
CID 155559738
4-methoxy-N-(9H-purin-6-yl)benzamide
CID 9404764
2-methoxy-N-(7H-purin-6-yl)benzamide
CID 91215896
3,5-dimethoxy-N-(7H-purin-6-yl)benzamide
CID 118727389
2,6-dimethoxy-N-(7H-purin-6-yl)benzamide
CID 118727391
2,4-dimethoxy-N-(7H-purin-6-yl)benzamide
CID 118727393
2,3-dimethoxy-N-(7H-purin-6-yl)benzamide
CID 118727394
3-methoxy-N-(7H-purin-6-yl)benzamide
CID 118727397
2-propoxy-N-(7H-purin-6-yl)benzamide
CID 118727401

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide (CID 118727403) is 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide is COc1cc(OC)c(C(=O)Nc2ncnc3nc[nH]c23)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide?
The InChIKey is PTCXNQUAMPSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-22-9-5-11(24-3)10(23-2)4-8(9)15(21)20-14-12-13(17-6-16-12)18-7-19-14/h4-7H,1-3H3,(H2,16,17,18,19,20,21).
What are the key properties of 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide?
2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide has a molecular weight of 329.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 118727403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).