5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one

C16H14N2O2 — CID 136764434

IUPAC5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(-c3ccccc3)c(C)c(=O)[nH]2)o1
InChIInChI=1S/C16H14N2O2/c1-10-8-9-13(20-10)15-17-14(11(2)16(19)18-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19)
InChIKeyVWDLKKSWVKRBPP-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.31
Rot. Bonds2

About 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one

5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136764434) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136764434
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(-c3ccccc3)c(C)c(=O)[nH]2)o1
InChIInChI=1S/C16H14N2O2/c1-10-8-9-13(20-10)15-17-14(11(2)16(19)18-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19)
InChIKeyVWDLKKSWVKRBPP-UHFFFAOYSA-N
XLogP3.31
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine
CID 104845868
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole
CID 40532851

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one (CID 136764434) is 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one is Cc1ccc(-c2nc(-c3ccccc3)c(C)c(=O)[nH]2)o1.
What is the InChIKey of 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is VWDLKKSWVKRBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-8-9-13(20-10)15-17-14(11(2)16(19)18-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one?
5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 266.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).