3-(furan-2-yl)-1H-pyrimidine-2,4-dione

C8H6N2O3 — CID 70364377

IUPAC3-(furan-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1-c1ccco1
InChIInChI=1S/C8H6N2O3/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h1-5H,(H,9,12)
InChIKeyRMPQSANVHSCIFU-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.12
Rot. Bonds1

About 3-(furan-2-yl)-1H-pyrimidine-2,4-dione

3-(furan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 70364377) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-(furan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID70364377
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name3-(furan-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1-c1ccco1
InChIInChI=1S/C8H6N2O3/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h1-5H,(H,9,12)
InChIKeyRMPQSANVHSCIFU-UHFFFAOYSA-N
XLogP0.12
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-yl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Furanyl)-5-fluorouracil
CID 324191
N-(furan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137657036
5-Fluoro-1-(furan-2-yl)pyrimidine-2,4(1H,3H)-dione
CID 53777786
5-Fluoro-1,3-bis(furan-2-yl)pyrimidine-2,4-dione
CID 324192
N,N-Diathyl-2-furylamin
CID 14389094
Ureidofurane
CID 54097684
Allylfurylamine
CID 67975741
2-Furyltetrahydropyridine
CID 129711305
1-(Furan-2-ylamino)ethyl acetate
CID 76315726
2(1H)-Pyrimidinone, 4-amino-1-(2-furanyl)-
CID 152549
(3-iodo-2-propynyl)-3N-(2-furanyl)-5-fluorouracil
CID 131723108
N-(2-fluoroethyl)furan-2-amine
CID 141369242

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(furan-2-yl)-1H-pyrimidine-2,4-dione (CID 70364377) is 3-(furan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(furan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(furan-2-yl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is RMPQSANVHSCIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h1-5H,(H,9,12).
What are the key properties of 3-(furan-2-yl)-1H-pyrimidine-2,4-dione?
3-(furan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 178.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70364377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).