N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide

C13H13N5O4 — CID 91947970

IUPACN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide
SMILESCn1c(=O)c2[nH]c(CNC(=O)c3ccco3)nc2n(C)c1=O
InChIInChI=1S/C13H13N5O4/c1-17-10-9(12(20)18(2)13(17)21)15-8(16-10)6-14-11(19)7-4-3-5-22-7/h3-5H,6H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyUGYBRXAZKZSZFD-UHFFFAOYSA-N
MW303.28 g/mol
LogP-0.52
Rot. Bonds3

About N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide

N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide (PubChem CID 91947970) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide
PubChem CID91947970
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC NameN-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide
SMILESCn1c(=O)c2[nH]c(CNC(=O)c3ccco3)nc2n(C)c1=O
InChIInChI=1S/C13H13N5O4/c1-17-10-9(12(20)18(2)13(17)21)15-8(16-10)6-14-11(19)7-4-3-5-22-7/h3-5H,6H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyUGYBRXAZKZSZFD-UHFFFAOYSA-N
XLogP-0.52
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 91947875
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 91947982
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 91947869
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 91947884
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-4-ethoxy-1-benzofuran-6-carboxamide
CID 91947926
5-(4-chlorophenyl)-N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-1,2-oxazole-3-carboxamide
CID 91947883
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 91947900
8-[2-(furan-2-yl)ethylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 61023544
N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanamide
CID 91949751
N-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-2-oxochromene-3-carboxamide
CID 91948144
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16840961

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide (CID 91947970) is N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide is Cn1c(=O)c2[nH]c(CNC(=O)c3ccco3)nc2n(C)c1=O.
What is the InChIKey of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide?
The InChIKey is UGYBRXAZKZSZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c1-17-10-9(12(20)18(2)13(17)21)15-8(16-10)6-14-11(19)7-4-3-5-22-7/h3-5H,6H2,1-2H3,(H,14,19)(H,15,16).
What are the key properties of N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide?
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide has a molecular weight of 303.28 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 91947970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).