2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide

C16H17N7O — CID 167795736

IUPAC2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1nc(Nc2ccccc2)c2[nH]cnc2n1)NC1CC1
InChIInChI=1S/C16H17N7O/c24-12(20-11-6-7-11)8-17-16-22-14-13(18-9-19-14)15(23-16)21-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,20,24)(H3,17,18,19,21,22,23)
InChIKeyWCCKIBRIPURSMG-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.79
Rot. Bonds6

About 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide

2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide (PubChem CID 167795736) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide
PubChem CID167795736
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1nc(Nc2ccccc2)c2[nH]cnc2n1)NC1CC1
InChIInChI=1S/C16H17N7O/c24-12(20-11-6-7-11)8-17-16-22-14-13(18-9-19-14)15(23-16)21-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,20,24)(H3,17,18,19,21,22,23)
InChIKeyWCCKIBRIPURSMG-UHFFFAOYSA-N
XLogP1.79
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide (CID 167795736) is 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide is O=C(CNc1nc(Nc2ccccc2)c2[nH]cnc2n1)NC1CC1.
What is the InChIKey of 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide?
The InChIKey is WCCKIBRIPURSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c24-12(20-11-6-7-11)8-17-16-22-14-13(18-9-19-14)15(23-16)21-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,20,24)(H3,17,18,19,21,22,23).
What are the key properties of 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide?
2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide has a molecular weight of 323.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 167795736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).