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

C9H13BrN4O — CID 136873264

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C9H13BrN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1
InChIKeySQCOENHIHSWXRS-ZCFIWIBFSA-N
MW273.13 g/mol
LogP0.46
Rot. Bonds1

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

4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136873264) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
PubChem CID136873264
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C9H13BrN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1
InChIKeySQCOENHIHSWXRS-ZCFIWIBFSA-N
XLogP0.46
TPSA75.01 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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one
CID 141111981
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
5-Bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66309968
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
4-amino-5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136159812
5-bromo-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672453
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
5-bromo-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733817

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one (CID 136873264) is 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one is N[C@@H]1CCCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is SQCOENHIHSWXRS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13BrN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 273.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136873264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).