2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one

C15H18N2O2 — CID 137084101

IUPAC2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2OCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(2)9-19-14-7-5-4-6-12(14)13-8-15(18)17-11(3)16-13/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyHGCLFETTXGMQKU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one

2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 137084101) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID137084101
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2OCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(2)9-19-14-7-5-4-6-12(14)13-8-15(18)17-11(3)16-13/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyHGCLFETTXGMQKU-UHFFFAOYSA-N
XLogP2.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
CID 82452946
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
3-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82445899
4-(3-methyl-2H-indazol-5-yl)-6-[2-(2-methylpropoxy)phenyl]-1H-pyridin-2-one
CID 25122083
5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110538872
2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one
CID 136769621
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
2-[2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]propan-2-amine
CID 82452952
2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 136692612
CID 71111467
CID 71111467
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 136769233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one (CID 137084101) is 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccccc2OCC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is HGCLFETTXGMQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)9-19-14-7-5-4-6-12(14)13-8-15(18)17-11(3)16-13/h4-8,10H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one?
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137084101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).