5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H15BrN4O — CID 136726429

IUPAC5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyOPTWHVZINLQFQW-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.67
Rot. Bonds1

About 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136726429) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136726429
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyOPTWHVZINLQFQW-UHFFFAOYSA-N
XLogP0.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957808
5-Bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66308534
5-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135786493
5-bromo-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136256209
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713545
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713576
5-bromo-4-(2,4-dimethyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726419
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726428
4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726430
4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726432
5-bromo-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726436

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136726429) is 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is CC1CN(C)CCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is OPTWHVZINLQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13,16).
What are the key properties of 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).