4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine

C23H26N4O — CID 133308307

IUPAC4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(N2CCCC(COc3ccccc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H26N4O/c1-2-20-15-22(26-23(25-20)19-10-12-24-13-11-19)27-14-6-7-18(16-27)17-28-21-8-4-3-5-9-21/h3-5,8-13,15,18H,2,6-7,14,16-17H2,1H3
InChIKeyWZWJPENLGNOJDP-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.40
Rot. Bonds6

About 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine

4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine (PubChem CID 133308307) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
PubChem CID133308307
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(N2CCCC(COc3ccccc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H26N4O/c1-2-20-15-22(26-23(25-20)19-10-12-24-13-11-19)27-14-6-7-18(16-27)17-28-21-8-4-3-5-9-21/h3-5,8-13,15,18H,2,6-7,14,16-17H2,1H3
InChIKeyWZWJPENLGNOJDP-UHFFFAOYSA-N
XLogP4.40
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6-ethyl-2-pyridin-4-ylpyrimidine
CID 133295012
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 133294107
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133294994
6-[3-(phenoxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133308222

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine (CID 133308307) is 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine is CCc1cc(N2CCCC(COc3ccccc3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The InChIKey is WZWJPENLGNOJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-20-15-22(26-23(25-20)19-10-12-24-13-11-19)27-14-6-7-18(16-27)17-28-21-8-4-3-5-9-21/h3-5,8-13,15,18H,2,6-7,14,16-17H2,1H3.
What are the key properties of 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine has a molecular weight of 374.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 133308307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).