2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one

C15H15BrN2O — CID 136986877

IUPAC2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(C3CC3)cc(=O)[nH]2)cc(C)c1Br
InChIInChI=1S/C15H15BrN2O/c1-8-5-11(6-9(2)14(8)16)15-17-12(10-3-4-10)7-13(19)18-15/h5-7,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyRCKRLFZXIHJCSP-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.69
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one

2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136986877) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136986877
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(C3CC3)cc(=O)[nH]2)cc(C)c1Br
InChIInChI=1S/C15H15BrN2O/c1-8-5-11(6-9(2)14(8)16)15-17-12(10-3-4-10)7-13(19)18-15/h5-7,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyRCKRLFZXIHJCSP-UHFFFAOYSA-N
XLogP3.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 135975393
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774590
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
4-cyclopropyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975455
2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478506
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975531
2-(4-bromo-3,5-dimethylphenyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136986915

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one (CID 136986877) is 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one is Cc1cc(-c2nc(C3CC3)cc(=O)[nH]2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is RCKRLFZXIHJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-8-5-11(6-9(2)14(8)16)15-17-12(10-3-4-10)7-13(19)18-15/h5-7,10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one?
2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 319.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136986877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).