2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine

C17H28N4 — CID 112900933

IUPAC2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine
SMILESCCC1CCCCN1c1nccc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H28N4/c1-3-15-8-4-5-12-21(15)17-18-10-9-16(19-17)20-11-6-7-14(2)13-20/h9-10,14-15H,3-8,11-13H2,1-2H3
InChIKeyFJAPLPXUMPYRSF-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine

2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 112900933) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID112900933
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine
SMILESCCC1CCCCN1c1nccc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H28N4/c1-3-15-8-4-5-12-21(15)17-18-10-9-16(19-17)20-11-6-7-14(2)13-20/h9-10,14-15H,3-8,11-13H2,1-2H3
InChIKeyFJAPLPXUMPYRSF-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894230
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
1-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112900939
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
N-benzyl-2-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 112890842
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
1-[4-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888860
4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 112900751
N,N-dimethyl-3-[4-[(3S)-3-methylazepan-1-yl]pyrimidin-2-yl]prop-2-yn-1-amine
CID 170628050

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine (CID 112900933) is 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine is CCC1CCCCN1c1nccc(N2CCCC(C)C2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is FJAPLPXUMPYRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-15-8-4-5-12-21(15)17-18-10-9-16(19-17)20-11-6-7-14(2)13-20/h9-10,14-15H,3-8,11-13H2,1-2H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine?
2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 288.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 112900933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).