2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide

C17H13ClN6O2 — CID 10270416

IUPAC2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
SMILESNc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1
InChIInChI=1S/C17H13ClN6O2/c18-11-5-2-1-4-10(11)8-20-17(25)24-9-21-14-13(12-6-3-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23)
InChIKeyHMUPZJIZTXUIKI-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.08
Rot. Bonds3

About 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide

2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide (PubChem CID 10270416) has the molecular formula C17H13ClN6O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
PubChem CID10270416
Molecular FormulaC17H13ClN6O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC Name2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
SMILESNc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1
InChIInChI=1S/C17H13ClN6O2/c18-11-5-2-1-4-10(11)8-20-17(25)24-9-21-14-13(12-6-3-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23)
InChIKeyHMUPZJIZTXUIKI-UHFFFAOYSA-N
XLogP3.08
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide?
The IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide (CID 10270416) is 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide?
The canonical SMILES for 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide is Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1.
What is the InChIKey of 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide?
The InChIKey is HMUPZJIZTXUIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2/c18-11-5-2-1-4-10(11)8-20-17(25)24-9-21-14-13(12-6-3-7-26-12)22-16(19)23-15(14)24/h1-7,9H,8H2,(H,20,25)(H2,19,22,23).
What are the key properties of 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide?
2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide has a molecular weight of 368.78 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide is sourced from PubChem (CID 10270416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).