4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one

C11H12N2O2 — CID 136692913

IUPAC4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(-c2ccco2)nc[nH]c1=O
InChIInChI=1S/C11H12N2O2/c1-2-4-8-10(9-5-3-6-15-9)12-7-13-11(8)14/h3,5-7H,2,4H2,1H3,(H,12,13,14)
InChIKeyYQRDJCWWVYWCCN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.98
Rot. Bonds3

About 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one

4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 136692913) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID136692913
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(-c2ccco2)nc[nH]c1=O
InChIInChI=1S/C11H12N2O2/c1-2-4-8-10(9-5-3-6-15-9)12-7-13-11(8)14/h3,5-7H,2,4H2,1H3,(H,12,13,14)
InChIKeyYQRDJCWWVYWCCN-UHFFFAOYSA-N
XLogP1.98
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione
CID 106518158
4-(2-fluoro-5-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 136691841
5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione
CID 106518134
4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136770221
2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
CID 141416431
3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid
CID 165454721
5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136769471
2-[3-(furan-2-yl)-5-propan-2-yl-1H-pyrazol-4-yl]ethanol
CID 121212557
4-(4-tert-butylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136692482
[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54851051
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136692126
1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61272441

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one (CID 136692913) is 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(-c2ccco2)nc[nH]c1=O.
What is the InChIKey of 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is YQRDJCWWVYWCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-4-8-10(9-5-3-6-15-9)12-7-13-11(8)14/h3,5-7H,2,4H2,1H3,(H,12,13,14).
What are the key properties of 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one?
4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 204.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).