1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

C17H16N2O2 — CID 751759

IUPAC1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccco1
InChIInChI=1S/C17H16N2O2/c1-12-16(14-7-4-3-5-8-14)17(20)18-13(2)19(12)11-15-9-6-10-21-15/h3-10H,11H2,1-2H3
InChIKeyLUCJZFZQUDCPQS-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.17
Rot. Bonds3

About 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (PubChem CID 751759) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
PubChem CID751759
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccco1
InChIInChI=1S/C17H16N2O2/c1-12-16(14-7-4-3-5-8-14)17(20)18-13(2)19(12)11-15-9-6-10-21-15/h3-10H,11H2,1-2H3
InChIKeyLUCJZFZQUDCPQS-UHFFFAOYSA-N
XLogP3.17
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (CID 751759) is 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The InChIKey is LUCJZFZQUDCPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-16(14-7-4-3-5-8-14)17(20)18-13(2)19(12)11-15-9-6-10-21-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 751759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).