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

C20H25N7 — CID 133295051

IUPAC4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
SMILESCCc1cc(N2CCC(c3nncn3CC)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C20H25N7/c1-3-16-13-18(24-19(23-16)17-7-5-6-10-21-17)27-11-8-15(9-12-27)20-25-22-14-26(20)4-2/h5-7,10,13-15H,3-4,8-9,11-12H2,1-2H3
InChIKeyHDJYHVVLXGNNJN-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.10
Rot. Bonds5

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

4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine (PubChem CID 133295051) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
PubChem CID133295051
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
SMILESCCc1cc(N2CCC(c3nncn3CC)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C20H25N7/c1-3-16-13-18(24-19(23-16)17-7-5-6-10-21-17)27-11-8-15(9-12-27)20-25-22-14-26(20)4-2/h5-7,10,13-15H,3-4,8-9,11-12H2,1-2H3
InChIKeyHDJYHVVLXGNNJN-UHFFFAOYSA-N
XLogP3.10
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine with MolForge

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Related Compounds

1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133485999
6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133301875
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 133294715
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298055
4-ethyl-2-pyridin-2-yl-6-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95300952

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine (CID 133295051) is 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine is CCc1cc(N2CCC(c3nncn3CC)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine?
The InChIKey is HDJYHVVLXGNNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-3-16-13-18(24-19(23-16)17-7-5-6-10-21-17)27-11-8-15(9-12-27)20-25-22-14-26(20)4-2/h5-7,10,13-15H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine?
4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine has a molecular weight of 363.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 133295051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).