2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one

C15H18N2O2 — CID 136963638

IUPAC2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(c1ccccc1)c1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(2)12-9-13(18)17-15(16-12)14(19-3)11-7-5-4-6-8-11/h4-10,14H,1-3H3,(H,16,17,18)
InChIKeyPOOUSJQEMKRSDO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.63
Rot. Bonds4

About 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136963638) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136963638
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(c1ccccc1)c1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-10(2)12-9-13(18)17-15(16-12)14(19-3)11-7-5-4-6-8-11/h4-10,14H,1-3H3,(H,16,17,18)
InChIKeyPOOUSJQEMKRSDO-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
CID 136960459
4-tert-butyl-5-iodo-2-[methoxy(phenyl)methyl]-1H-pyrimidin-6-one
CID 136963947
6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole
CID 104574511
2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 62098401
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987
2-[3-(difluoromethyl)phenyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 137012797
4-fluoro-2-[methoxy(phenyl)methyl]-1H-benzimidazole
CID 64724565
ethyl 6-[[4-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoate
CID 135541931
2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 136684700
[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721312
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 135973672

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136963638) is 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one is COC(c1ccccc1)c1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is POOUSJQEMKRSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)12-9-13(18)17-15(16-12)14(19-3)11-7-5-4-6-8-11/h4-10,14H,1-3H3,(H,16,17,18).
What are the key properties of 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).