5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

C15H25BrN2O2 — CID 136997863

IUPAC5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CC(C)C)c(Br)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C15H25BrN2O2/c1-7-20-12(15(4,5)6)13-17-10(8-9(2)3)11(16)14(19)18-13/h9,12H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyVCVZPCSJEPOKNX-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.85
Rot. Bonds5

About 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136997863) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136997863
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1nc(CC(C)C)c(Br)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C15H25BrN2O2/c1-7-20-12(15(4,5)6)13-17-10(8-9(2)3)11(16)14(19)18-13/h9,12H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyVCVZPCSJEPOKNX-UHFFFAOYSA-N
XLogP3.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116705759
4-amino-2-(1-ethoxy-2,2-dimethylpropyl)-5-methyl-1H-pyrimidin-6-one
CID 136955125
5-bromo-2-(1-ethoxycyclohexyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964105
2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136983284
5-bromo-2-(1-ethoxybutyl)-4-propyl-1H-pyrimidin-6-one
CID 136997757
3-(1-ethoxy-2,2-dimethylpropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965374
5-bromo-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286972
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116706684
5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136997853
5-bromo-2-(1-methylsulfonylethyl)-4-propyl-1H-pyrimidin-6-one
CID 136941717
5-bromo-2-(4-methoxyoxan-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964103
5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136741734

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136997863) is 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is CCOC(c1nc(CC(C)C)c(Br)c(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is VCVZPCSJEPOKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-7-20-12(15(4,5)6)13-17-10(8-9(2)3)11(16)14(19)18-13/h9,12H,7-8H2,1-6H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 345.28 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136997863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).