3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide

C15H11N7O4 — CID 121025932

IUPAC3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ncnc2nc[nH]c12)c1c[nH]c(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C15H11N7O4/c23-13(21-12-10-11(18-6-17-10)19-7-20-12)9-4-16-15(25)22(14(9)24)5-8-2-1-3-26-8/h1-4,6-7H,5H2,(H,16,25)(H2,17,18,19,20,21,23)
InChIKeyLTNXRCSNDWFOFB-UHFFFAOYSA-N
MW353.30 g/mol
LogP0.10
Rot. Bonds4

About 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide

3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 121025932) has the molecular formula C15H11N7O4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide
PubChem CID121025932
Molecular FormulaC15H11N7O4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ncnc2nc[nH]c12)c1c[nH]c(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C15H11N7O4/c23-13(21-12-10-11(18-6-17-10)19-7-20-12)9-4-16-15(25)22(14(9)24)5-8-2-1-3-26-8/h1-4,6-7H,5H2,(H,16,25)(H2,17,18,19,20,21,23)
InChIKeyLTNXRCSNDWFOFB-UHFFFAOYSA-N
XLogP0.10
TPSA151.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121025950
3-(furan-2-ylmethyl)-2,4-dioxo-N-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025951
1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 7620011
1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 7620340

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide (CID 121025932) is 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide is O=C(Nc1ncnc2nc[nH]c12)c1c[nH]c(=O)n(Cc2ccco2)c1=O.
What is the InChIKey of 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide?
The InChIKey is LTNXRCSNDWFOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O4/c23-13(21-12-10-11(18-6-17-10)19-7-20-12)9-4-16-15(25)22(14(9)24)5-8-2-1-3-26-8/h1-4,6-7H,5H2,(H,16,25)(H2,17,18,19,20,21,23).
What are the key properties of 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide?
3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).