4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

C12H20N4O — CID 137015715

IUPAC4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC(C)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H20N4O/c1-9(13-2)10-4-3-5-16(7-10)11-6-12(17)15-8-14-11/h6,8-10,13H,3-5,7H2,1-2H3,(H,14,15,17)
InChIKeyBVGQKBOHGBGBBQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds3

About 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137015715) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137015715
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC(C)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H20N4O/c1-9(13-2)10-4-3-5-16(7-10)11-6-12(17)15-8-14-11/h6,8-10,13H,3-5,7H2,1-2H3,(H,14,15,17)
InChIKeyBVGQKBOHGBGBBQ-UHFFFAOYSA-N
XLogP0.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
6-Amino-2-(3-methyl-1-piperidinyl)-4(3H)-pyrimidinone
CID 135646473
4-(4-piperidin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136205542
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
6-(3,6-Diazabicyclo[3.2.1]octan-6-yl)-3-methylpyrimidin-4-one
CID 139427171
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
1-[(6-Methylpiperidin-3-yl)methyl]pyrimidin-4-one
CID 141061605
6-Amino-2-(4-amino-4-methylpiperidin-1-yl)-3-methylpyrimidin-4-one
CID 175829400

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 137015715) is 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is CNC(C)C1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BVGQKBOHGBGBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(13-2)10-4-3-5-16(7-10)11-6-12(17)15-8-14-11/h6,8-10,13H,3-5,7H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137015715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).