1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone

C13H20N4O — CID 118119706

IUPAC1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2cnc(N(C)C)nc2)CC1
InChIInChI=1S/C13H20N4O/c1-10(18)11-4-6-17(7-5-11)12-8-14-13(15-9-12)16(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyRMSDYCDTRQNBFY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.35
Rot. Bonds3

About 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone

1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone (PubChem CID 118119706) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone
PubChem CID118119706
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2cnc(N(C)C)nc2)CC1
InChIInChI=1S/C13H20N4O/c1-10(18)11-4-6-17(7-5-11)12-8-14-13(15-9-12)16(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyRMSDYCDTRQNBFY-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone (CID 118119706) is 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone is CC(=O)C1CCN(c2cnc(N(C)C)nc2)CC1.
What is the InChIKey of 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone?
The InChIKey is RMSDYCDTRQNBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)11-4-6-17(7-5-11)12-8-14-13(15-9-12)16(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone?
1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone is sourced from PubChem (CID 118119706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).