N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H13N3O4 — CID 121025792

IUPACN-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1c[nH]c(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C13H13N3O4/c17-11(15-8-3-4-8)10-6-14-13(19)16(12(10)18)7-9-2-1-5-20-9/h1-2,5-6,8H,3-4,7H2,(H,14,19)(H,15,17)
InChIKeyVPWKFGWBTJENPY-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.07
Rot. Bonds4

About N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025792) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025792
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1c[nH]c(=O)n(Cc2ccco2)c1=O
InChIInChI=1S/C13H13N3O4/c17-11(15-8-3-4-8)10-6-14-13(19)16(12(10)18)7-9-2-1-5-20-9/h1-2,5-6,8H,3-4,7H2,(H,14,19)(H,15,17)
InChIKeyVPWKFGWBTJENPY-UHFFFAOYSA-N
XLogP0.07
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
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
5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025732
3-(furan-2-ylmethyl)-2,4-dioxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121025950
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
4-[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 121025857
3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide
CID 121025932
ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 121025946
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025792) is N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NC1CC1)c1c[nH]c(=O)n(Cc2ccco2)c1=O.
What is the InChIKey of N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VPWKFGWBTJENPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-11(15-8-3-4-8)10-6-14-13(19)16(12(10)18)7-9-2-1-5-20-9/h1-2,5-6,8H,3-4,7H2,(H,14,19)(H,15,17).
What are the key properties of N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 275.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).