4-(7H-purin-6-ylamino)benzamide

C12H10N6O — CID 5047828

IUPAC4-(7H-purin-6-ylamino)benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H10N6O/c13-10(19)7-1-3-8(4-2-7)18-12-9-11(15-5-14-9)16-6-17-12/h1-6H,(H2,13,19)(H2,14,15,16,17,18)
InChIKeyHNZGNBCVBQTPNR-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.20
Rot. Bonds3

About 4-(7H-purin-6-ylamino)benzamide

4-(7H-purin-6-ylamino)benzamide (PubChem CID 5047828) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-(7H-purin-6-ylamino)benzamide.

Molecular Properties

Compound Name4-(7H-purin-6-ylamino)benzamide
PubChem CID5047828
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name4-(7H-purin-6-ylamino)benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H10N6O/c13-10(19)7-1-3-8(4-2-7)18-12-9-11(15-5-14-9)16-6-17-12/h1-6H,(H2,13,19)(H2,14,15,16,17,18)
InChIKeyHNZGNBCVBQTPNR-UHFFFAOYSA-N
XLogP1.20
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7H-purin-6-ylamino)benzamide?
The IUPAC name of 4-(7H-purin-6-ylamino)benzamide (CID 5047828) is 4-(7H-purin-6-ylamino)benzamide.
What is the SMILES notation for 4-(7H-purin-6-ylamino)benzamide?
The canonical SMILES for 4-(7H-purin-6-ylamino)benzamide is NC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 4-(7H-purin-6-ylamino)benzamide?
The InChIKey is HNZGNBCVBQTPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-10(19)7-1-3-8(4-2-7)18-12-9-11(15-5-14-9)16-6-17-12/h1-6H,(H2,13,19)(H2,14,15,16,17,18).
What are the key properties of 4-(7H-purin-6-ylamino)benzamide?
4-(7H-purin-6-ylamino)benzamide has a molecular weight of 254.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-purin-6-ylamino)benzamide is sourced from PubChem (CID 5047828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).