2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

C18H24N8 — CID 72859735

IUPAC2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCCC(c3nnc(Cn4ccnc4C)n3C)C2)n1
InChIInChI=1S/C18H24N8/c1-13-19-7-6-16(21-13)26-9-4-5-15(11-26)18-23-22-17(24(18)3)12-25-10-8-20-14(25)2/h6-8,10,15H,4-5,9,11-12H2,1-3H3
InChIKeyWLFZQGZEUNJDMN-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (PubChem CID 72859735) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
PubChem CID72859735
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCCC(c3nnc(Cn4ccnc4C)n3C)C2)n1
InChIInChI=1S/C18H24N8/c1-13-19-7-6-16(21-13)26-9-4-5-15(11-26)18-23-22-17(24(18)3)12-25-10-8-20-14(25)2/h6-8,10,15H,4-5,9,11-12H2,1-3H3
InChIKeyWLFZQGZEUNJDMN-UHFFFAOYSA-N
XLogP1.85
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine with MolForge

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Related Compounds

2-{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazin-1-yl}-pyrimidine
CID 654502
5-(3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142022
2-[4-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine
CID 56815169
N-methyl-2-{4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine
CID 70707182
2-(4-{4-cyclopropyl-5-[(dimethylamino)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)pyrimidin-4-amine
CID 70707320
2-(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-N-methylpyrimidin-4-amine
CID 70734973
1-[4-cyclopropyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70745589
2-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine
CID 70779369
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 71691577
2-(3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)pyrimidine
CID 72842564
6-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidin-1-yl)pyrimidin-4-amine
CID 72844111
2-{3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidine
CID 72858931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (CID 72859735) is 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is Cc1nccc(N2CCCC(c3nnc(Cn4ccnc4C)n3C)C2)n1.
What is the InChIKey of 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The InChIKey is WLFZQGZEUNJDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-13-19-7-6-16(21-13)26-9-4-5-15(11-26)18-23-22-17(24(18)3)12-25-10-8-20-14(25)2/h6-8,10,15H,4-5,9,11-12H2,1-3H3.
What are the key properties of 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine has a molecular weight of 352.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72859735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).