4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one

C9H8N2O2 — CID 103922854

IUPAC4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2ccoc2)nc(=O)[nH]1
InChIInChI=1S/C9H8N2O2/c1-6-4-8(11-9(12)10-6)7-2-3-13-5-7/h2-5H,1H3,(H,10,11,12)
InChIKeyDRDMYJRUDLFWOS-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.34
Rot. Bonds1

About 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one

4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 103922854) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
PubChem CID103922854
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2ccoc2)nc(=O)[nH]1
InChIInChI=1S/C9H8N2O2/c1-6-4-8(11-9(12)10-6)7-2-3-13-5-7/h2-5H,1H3,(H,10,11,12)
InChIKeyDRDMYJRUDLFWOS-UHFFFAOYSA-N
XLogP1.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883191
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzoic acid
CID 105487597
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655
4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 105485427
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741
2-chloro-4,6-bis(furan-3-yl)pyrimidine
CID 15141666
4-(4-amino-3-methoxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 82474736
5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine
CID 89230863
2,6-bis(furan-3-yl)pyridine
CID 134967071
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 106520134
5-(furan-3-yl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308877

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one (CID 103922854) is 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(-c2ccoc2)nc(=O)[nH]1.
What is the InChIKey of 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is DRDMYJRUDLFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-4-8(11-9(12)10-6)7-2-3-13-5-7/h2-5H,1H3,(H,10,11,12).
What are the key properties of 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one?
4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 176.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 103922854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).