4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine

C19H29N7O — CID 70706915

IUPAC4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine
SMILESCCc1cc(N2CCC(Cc3nncn3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H29N7O/c1-3-16-13-17(22-19(21-16)26-8-10-27-11-9-26)25-6-4-15(5-7-25)12-18-23-20-14-24(18)2/h13-15H,3-12H2,1-2H3
InChIKeyZNWCMGHROKIGNZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.46
Rot. Bonds5

About 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine

4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 70706915) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID70706915
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine
SMILESCCc1cc(N2CCC(Cc3nncn3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H29N7O/c1-3-16-13-17(22-19(21-16)26-8-10-27-11-9-26)25-6-4-15(5-7-25)12-18-23-20-14-24(18)2/h13-15H,3-12H2,1-2H3
InChIKeyZNWCMGHROKIGNZ-UHFFFAOYSA-N
XLogP1.46
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

4-[6-(3,5-Dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine
CID 321075
5-Ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46097502
3-{2-methyl-6-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl}cyclobutanol
CID 91771160
4-{2-Methyl-6-[1-(4-methyl-3-penten-1-yl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 56904542
4-({4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70705503
1-({4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70738964
4-methyl-6-(4-{4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)pyrimidine
CID 72931286
4-[5-methyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 95114460
4-[3-[1-(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propyl]morpholine
CID 99819723
7-(4-Ethoxy-4-methylpiperidin-1-yl)-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145877905
7-[(4S)-4-methoxy-3,3-dimethylpiperidin-1-yl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 164631113
[5-[(3S)-1-(2,6-diethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 164632438

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine (CID 70706915) is 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine is CCc1cc(N2CCC(Cc3nncn3C)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is ZNWCMGHROKIGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-3-16-13-17(22-19(21-16)26-8-10-27-11-9-26)25-6-4-15(5-7-25)12-18-23-20-14-24(18)2/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 371.49 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 70706915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).