4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one

C15H18N2O2 — CID 136692477

IUPAC4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2ccc(C(C)(C)C)cc2)nc[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-15(2,3)11-7-5-10(6-8-11)12-13(19-4)14(18)17-9-16-12/h5-9H,1-4H3,(H,16,17,18)
InChIKeyBQWUCIAGUUCKTK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.74
Rot. Bonds2

About 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one

4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136692477) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136692477
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-c2ccc(C(C)(C)C)cc2)nc[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-15(2,3)11-7-5-10(6-8-11)12-13(19-4)14(18)17-9-16-12/h5-9H,1-4H3,(H,16,17,18)
InChIKeyBQWUCIAGUUCKTK-UHFFFAOYSA-N
XLogP2.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
CID 136955551
5-methoxy-4-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 136692798
4-(4-tert-butylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136692482
4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691696
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136692107
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
4-(5-fluoro-3-pyridinyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692261
4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
4-(5-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136769687
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one (CID 136692477) is 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one is COc1c(-c2ccc(C(C)(C)C)cc2)nc[nH]c1=O.
What is the InChIKey of 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is BQWUCIAGUUCKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)11-7-5-10(6-8-11)12-13(19-4)14(18)17-9-16-12/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one?
4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136692477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).