2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide

C10H17BrN4O — CID 169083048

IUPAC2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
SMILESBr.CNC1CCCN(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H16N4O.BrH/c1-11-8-3-2-6-14(7-8)10-12-5-4-9(15)13-10;/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,13,15);1H
InChIKeyFBIJQLSPBLGBDL-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.54
Rot. Bonds2

About 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide

2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide (PubChem CID 169083048) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
PubChem CID169083048
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide
SMILESBr.CNC1CCCN(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H16N4O.BrH/c1-11-8-3-2-6-14(7-8)10-12-5-4-9(15)13-10;/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,13,15);1H
InChIKeyFBIJQLSPBLGBDL-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

2-(1-Piperidinyl)-4(3H)-pyrimidinone
CID 1404202
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
CID 141182437
2-(3-aminopiperidin-1-yl)-5-fluoro-1H-pyrimidin-6-one
CID 149709905
2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 154058334
2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 1404181
2-piperazin-1-yl-1H-pyrimidin-6-one
CID 1404239
5-amino-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 20276628
2-(piperidin-4-ylamino)-1H-pyrimidin-6-one
CID 58972433
2-(Piperidin-4-ylamino)-pyrimidin-4-ol dihydrochloride
CID 68782105

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide (CID 169083048) is 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide is Br.CNC1CCCN(c2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide?
The InChIKey is FBIJQLSPBLGBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.BrH/c1-11-8-3-2-6-14(7-8)10-12-5-4-9(15)13-10;/h4-5,8,11H,2-3,6-7H2,1H3,(H,12,13,15);1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide?
2-[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 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one;hydrobromide is sourced from PubChem (CID 169083048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).