5-benzyl-4-methyl-1H-pyrimidin-6-one

C12H12N2O — CID 135591006

IUPAC5-benzyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C12H12N2O/c1-9-11(12(15)14-8-13-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyJKASZIFQCOKTFF-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.67
Rot. Bonds2

About 5-benzyl-4-methyl-1H-pyrimidin-6-one

5-benzyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135591006) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-benzyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135591006
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-benzyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C12H12N2O/c1-9-11(12(15)14-8-13-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyJKASZIFQCOKTFF-UHFFFAOYSA-N
XLogP1.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 776568
CID 135407240
CID 135407240
CID 135448707
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CID 135513632
CID 135513632
CID 135530212
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CID 135449277
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CID 135417545
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CID 135422583
CID 135422583

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-4-methyl-1H-pyrimidin-6-one (CID 135591006) is 5-benzyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-4-methyl-1H-pyrimidin-6-one is Cc1nc[nH]c(=O)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JKASZIFQCOKTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-11(12(15)14-8-13-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,14,15).
What are the key properties of 5-benzyl-4-methyl-1H-pyrimidin-6-one?
5-benzyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 200.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135591006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).