5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one

C10H15BrN2O — CID 66311093

IUPAC5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one
SMILESCc1ncn(CCC(C)C)c(=O)c1Br
InChIInChI=1S/C10H15BrN2O/c1-7(2)4-5-13-6-12-8(3)9(11)10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyNQFJADFEFSJUND-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.36
Rot. Bonds3

About 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one

5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one (PubChem CID 66311093) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one
PubChem CID66311093
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one
SMILESCc1ncn(CCC(C)C)c(=O)c1Br
InChIInChI=1S/C10H15BrN2O/c1-7(2)4-5-13-6-12-8(3)9(11)10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyNQFJADFEFSJUND-UHFFFAOYSA-N
XLogP2.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(2-bromoethyl)-6-methylpyrimidin-4-one
CID 66310232
5-bromo-3-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309605
5-bromo-6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one
CID 66310691
5-bromo-3-(2-cyclopropylethyl)-6-methylpyrimidin-4-one
CID 66307921
5-bromo-3-[2-hydroxy-3-(2-methylpropylamino)propyl]-6-methylpyrimidin-4-one
CID 113317723
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66308140
5-bromo-3-(2-butoxyethyl)-6-methylpyrimidin-4-one
CID 66310463
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309630
5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
CID 106439728
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
5-bromo-6-methyl-3-[(2-methyltetrazol-5-yl)methyl]pyrimidin-4-one
CID 107052028
6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 66310054

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one (CID 66311093) is 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one is Cc1ncn(CCC(C)C)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The InChIKey is NQFJADFEFSJUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7(2)4-5-13-6-12-8(3)9(11)10(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one has a molecular weight of 259.15 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 66311093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).