1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

C13H20N4O — CID 110249232

IUPAC1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C13H20N4O/c1-10(18)17-8-4-5-11(9-17)12-6-7-14-13(15-12)16(2)3/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyFAZJFCUUMSCMQO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.27
Rot. Bonds2

About 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110249232) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID110249232
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C13H20N4O/c1-10(18)17-8-4-5-11(9-17)12-6-7-14-13(15-12)16(2)3/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyFAZJFCUUMSCMQO-UHFFFAOYSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 110249232) is 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2ccnc(N(C)C)n2)C1.
What is the InChIKey of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is FAZJFCUUMSCMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)17-8-4-5-11(9-17)12-6-7-14-13(15-12)16(2)3/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110249232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).