4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one

C15H18N2O — CID 135619683

IUPAC4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-10-16-13(9-14(18)17-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyOAIOULIGLVBSNM-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.04
Rot. Bonds1

About 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one

4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 135619683) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID135619683
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-10-16-13(9-14(18)17-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyOAIOULIGLVBSNM-UHFFFAOYSA-N
XLogP3.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one (CID 135619683) is 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(C(C)(C)C)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OAIOULIGLVBSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-16-13(9-14(18)17-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one?
4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135619683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).