5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine

C20H28N8 — CID 72910470

IUPAC5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCCc1c(C)nc(C)nc1N1CCCC(c2nnc(Cn3ccnc3)n2C)C1
InChIInChI=1S/C20H28N8/c1-5-17-14(2)22-15(3)23-20(17)28-9-6-7-16(11-28)19-25-24-18(26(19)4)12-27-10-8-21-13-27/h8,10,13,16H,5-7,9,11-12H2,1-4H3
InChIKeyHSPFZTVBZRSQME-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.41
Rot. Bonds5

About 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine

5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 72910470) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine
PubChem CID72910470
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCCc1c(C)nc(C)nc1N1CCCC(c2nnc(Cn3ccnc3)n2C)C1
InChIInChI=1S/C20H28N8/c1-5-17-14(2)22-15(3)23-20(17)28-9-6-7-16(11-28)19-25-24-18(26(19)4)12-27-10-8-21-13-27/h8,10,13,16H,5-7,9,11-12H2,1-4H3
InChIKeyHSPFZTVBZRSQME-UHFFFAOYSA-N
XLogP2.41
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,5-dimethylpyrazine
CID 97204162
2-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 72898274
(3S)-1-cycloheptyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 97188602
2-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72916662
1-[(2-ethylphenyl)methyl]-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 72865571
2-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 97198269
2-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 97204648
4-[[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97149770
2,4,5-trimethyl-6-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 95868121
2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 97188833
cycloheptyl-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97191268
2-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetic acid
CID 72868361

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine (CID 72910470) is 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine is CCc1c(C)nc(C)nc1N1CCCC(c2nnc(Cn3ccnc3)n2C)C1.
What is the InChIKey of 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is HSPFZTVBZRSQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8/c1-5-17-14(2)22-15(3)23-20(17)28-9-6-7-16(11-28)19-25-24-18(26(19)4)12-27-10-8-21-13-27/h8,10,13,16H,5-7,9,11-12H2,1-4H3.
What are the key properties of 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine?
5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 380.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 72910470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).