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

C10H16N4O — CID 169083049

IUPAC2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC1CCCN(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H16N4O/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)
InChIKeyZOFXXNJLYZABDP-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.04
Rot. Bonds2

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

2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 169083049) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID169083049
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC1CCCN(c2nccc(=O)[nH]2)C1
InChIInChI=1S/C10H16N4O/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)
InChIKeyZOFXXNJLYZABDP-UHFFFAOYSA-N
XLogP-0.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.04
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
6-amino-2-(4-ethylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135636717
2-amino-6-(4-aminopiperidin-1-yl)pyrimidin-4(3H)-one
CID 135933881
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 1404181
2-piperazin-1-yl-1H-pyrimidin-6-one
CID 1404239

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one (CID 169083049) is 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one is CNC1CCCN(c2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZOFXXNJLYZABDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/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).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one?
2-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.04, 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 is sourced from PubChem (CID 169083049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).