5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide

C10H17BrN4O — CID 162725265

IUPAC5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
SMILESBr.CNC1CCCN(c2cnc[nH]c2=O)C1
InChIInChI=1S/C10H16N4O.BrH/c1-11-8-3-2-4-14(6-8)9-5-12-7-13-10(9)15;/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,15);1H
InChIKeyMJKREQIELPGUMA-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.54
Rot. Bonds2

About 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide

5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide (PubChem CID 162725265) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide.

Molecular Properties

Compound Name5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
PubChem CID162725265
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
SMILESBr.CNC1CCCN(c2cnc[nH]c2=O)C1
InChIInChI=1S/C10H16N4O.BrH/c1-11-8-3-2-4-14(6-8)9-5-12-7-13-10(9)15;/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,15);1H
InChIKeyMJKREQIELPGUMA-UHFFFAOYSA-N
XLogP0.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4(1H)-Pyrimidinone, 5-(4-methyl-1-piperazinyl)-
CID 3073824
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 135906347
5-(butylamino)-1H-pyrimidin-6-one
CID 68741569
5-(octylamino)-1H-pyrimidin-6-one
CID 69101965
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 141111973
5-Amino-3-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-one
CID 141540266
tert-butyl N-methyl-N-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamate
CID 162725081
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 162725266
2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
CID 169083048
methyl-[1-(6-oxo-1H-pyrimidin-5-yl)piperidin-3-yl]carbamic acid
CID 169728228

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide?
The IUPAC name of 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide (CID 162725265) is 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide.
What is the SMILES notation for 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide?
The canonical SMILES for 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide is Br.CNC1CCCN(c2cnc[nH]c2=O)C1.
What is the InChIKey of 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide?
The InChIKey is MJKREQIELPGUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.BrH/c1-11-8-3-2-4-14(6-8)9-5-12-7-13-10(9)15;/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,15);1H.
What are the key properties of 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide?
5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide has a molecular weight of 289.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide is sourced from PubChem (CID 162725265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).