5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

C11H17BrN4O — CID 136956374

IUPAC5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCCCC2)c1Br
InChIInChI=1S/C11H17BrN4O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H2,13,14,15,17)
InChIKeyRVDXVXVPZJGOSA-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.43
Rot. Bonds4

About 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136956374) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136956374
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCCCC2)c1Br
InChIInChI=1S/C11H17BrN4O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H2,13,14,15,17)
InChIKeyRVDXVXVPZJGOSA-UHFFFAOYSA-N
XLogP1.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.43
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
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
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780969

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (CID 136956374) is 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCN2CCCCC2)c1Br.
What is the InChIKey of 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is RVDXVXVPZJGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H2,13,14,15,17).
What are the key properties of 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 301.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).