N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine

C13H22N4 — CID 175956773

IUPACN,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine
SMILESCC(c1cnc(N2CCCCC2)nc1)N(C)C
InChIInChI=1S/C13H22N4/c1-11(16(2)3)12-9-14-13(15-10-12)17-7-5-4-6-8-17/h9-11H,4-8H2,1-3H3
InChIKeyPZUNQJLABKHLOA-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.09
Rot. Bonds3

About N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine

N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine (PubChem CID 175956773) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine
PubChem CID175956773
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine
SMILESCC(c1cnc(N2CCCCC2)nc1)N(C)C
InChIInChI=1S/C13H22N4/c1-11(16(2)3)12-9-14-13(15-10-12)17-7-5-4-6-8-17/h9-11H,4-8H2,1-3H3
InChIKeyPZUNQJLABKHLOA-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170581879
2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
CID 83896634
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butane-1,2,4-triol
CID 171873099
4-(methylamino)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butane-1,2-diol
CID 171891016
N,N-dimethyl-3-(2-piperidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 170867340
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
2,3-dihydroxy-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanenitrile
CID 171871029
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine (CID 175956773) is N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine is CC(c1cnc(N2CCCCC2)nc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine?
The InChIKey is PZUNQJLABKHLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(16(2)3)12-9-14-13(15-10-12)17-7-5-4-6-8-17/h9-11H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine?
N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine has a molecular weight of 234.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 175956773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).