5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one

C13H21BrN4O — CID 136955967

IUPAC5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
SMILESCC1CCCCN1CCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C13H21BrN4O/c1-10-5-2-3-7-18(10)8-4-6-15-12-11(14)13(19)17-9-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyUISPCQLFFJYCTR-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.21
Rot. Bonds5

About 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one

5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one (PubChem CID 136955967) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
PubChem CID136955967
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
SMILESCC1CCCCN1CCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C13H21BrN4O/c1-10-5-2-3-7-18(10)8-4-6-15-12-11(14)13(19)17-9-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyUISPCQLFFJYCTR-UHFFFAOYSA-N
XLogP2.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-3-[3-(cyclohexylamino)propyl]-6-methylpyrimidin-4-one
CID 66308151
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
5-Bromo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308960
5-Bromo-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66309969
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
5-bromo-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733817
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752196
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778293
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296
4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one (CID 136955967) is 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one is CC1CCCCN1CCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one?
The InChIKey is UISPCQLFFJYCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-10-5-2-3-7-18(10)8-4-6-15-12-11(14)13(19)17-9-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,19).
What are the key properties of 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one?
5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one has a molecular weight of 329.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136955967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).