2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

C15H17BrN2O — CID 136701879

IUPAC2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(CC(C)C)cc(=O)[nH]2)cc1Br
InChIInChI=1S/C15H17BrN2O/c1-9(2)6-12-8-14(19)18-15(17-12)11-5-4-10(3)13(16)7-11/h4-5,7-9H,6H2,1-3H3,(H,17,18,19)
InChIKeyPWFFPRXMCNTHON-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.71
Rot. Bonds3

About 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136701879) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136701879
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(CC(C)C)cc(=O)[nH]2)cc1Br
InChIInChI=1S/C15H17BrN2O/c1-9(2)6-12-8-14(19)18-15(17-12)11-5-4-10(3)13(16)7-11/h4-5,7-9H,6H2,1-3H3,(H,17,18,19)
InChIKeyPWFFPRXMCNTHON-UHFFFAOYSA-N
XLogP3.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylphenyl)-4-methyl-1H-pyrimidin-6-one
CID 136701853
2-(3-bromo-4-methylphenyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136701857
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136920385
4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877750
4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677185
2-(3-fluoro-4-methylphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978384
2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136932085
2-(4-bromo-3,5-dimethylphenyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136986915
2-(3-bromo-4-methoxyphenyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136827172
2-(3-bromo-4-methylphenyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136701869
4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 136888703

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136701879) is 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is Cc1ccc(-c2nc(CC(C)C)cc(=O)[nH]2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is PWFFPRXMCNTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-9(2)6-12-8-14(19)18-15(17-12)11-5-4-10(3)13(16)7-11/h4-5,7-9H,6H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 321.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136701879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).