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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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).