5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one

C9H13BrN4O — CID 136879308

IUPAC5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nc[nH]c(=O)c2Br)CCN1
InChIInChI=1S/C9H13BrN4O/c1-6-4-14(3-2-11-6)8-7(10)9(15)13-5-12-8/h5-6,11H,2-4H2,1H3,(H,12,13,15)/t6-/m1/s1
InChIKeyNVPYKAHZXJYWTK-ZCFIWIBFSA-N
MW273.13 g/mol
LogP0.33
Rot. Bonds1

About 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136879308) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136879308
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(c2nc[nH]c(=O)c2Br)CCN1
InChIInChI=1S/C9H13BrN4O/c1-6-4-14(3-2-11-6)8-7(10)9(15)13-5-12-8/h5-6,11H,2-4H2,1H3,(H,12,13,15)/t6-/m1/s1
InChIKeyNVPYKAHZXJYWTK-ZCFIWIBFSA-N
XLogP0.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.33
H-Bond Donors ≤ 52
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
2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one
CID 141111981
5-methyl-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 177783270
5-Bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66308534
5-Bromo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66309760
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-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726428
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one (CID 136879308) is 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one is C[C@@H]1CN(c2nc[nH]c(=O)c2Br)CCN1.
What is the InChIKey of 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NVPYKAHZXJYWTK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-6-4-14(3-2-11-6)8-7(10)9(15)13-5-12-8/h5-6,11H,2-4H2,1H3,(H,12,13,15)/t6-/m1/s1.
What are the key properties of 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 273.13 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136879308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).