2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide

C18H16N6O2 — CID 10269216

IUPAC2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
SMILESCc1cccc(CNC(=O)n2cnc3c(-c4ccco4)nc(N)nc32)c1
InChIInChI=1S/C18H16N6O2/c1-11-4-2-5-12(8-11)9-20-18(25)24-10-21-15-14(13-6-3-7-26-13)22-17(19)23-16(15)24/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,22,23)
InChIKeyFXGWAOVZUWGRNJ-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide

2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide (PubChem CID 10269216) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
PubChem CID10269216
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
SMILESCc1cccc(CNC(=O)n2cnc3c(-c4ccco4)nc(N)nc32)c1
InChIInChI=1S/C18H16N6O2/c1-11-4-2-5-12(8-11)9-20-18(25)24-10-21-15-14(13-6-3-7-26-13)22-17(19)23-16(15)24/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,22,23)
InChIKeyFXGWAOVZUWGRNJ-UHFFFAOYSA-N
XLogP2.73
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Vipadenant
CID 21874557
6-(furan-2-yl)-9H-purin-2-amine
CID 9834240
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11161778
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
Roscovitine derivative 1
CID 73353575
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide?
The IUPAC name of 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide (CID 10269216) is 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide?
The canonical SMILES for 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide is Cc1cccc(CNC(=O)n2cnc3c(-c4ccco4)nc(N)nc32)c1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide?
The InChIKey is FXGWAOVZUWGRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11-4-2-5-12(8-11)9-20-18(25)24-10-21-15-14(13-6-3-7-26-13)22-17(19)23-16(15)24/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,22,23).
What are the key properties of 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide?
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide is sourced from PubChem (CID 10269216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).