4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride

C13H19Cl2N5 — CID 171687273

IUPAC4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride
SMILESCc1nc(C2CCNCC2)cc(-n2ccnc2)n1.Cl.Cl
InChIInChI=1S/C13H17N5.2ClH/c1-10-16-12(11-2-4-14-5-3-11)8-13(17-10)18-7-6-15-9-18;;/h6-9,11,14H,2-5H2,1H3;2*1H
InChIKeySSIHEJMGRKLJSQ-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.28
Rot. Bonds2

About 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride

4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride (PubChem CID 171687273) has the molecular formula C13H19Cl2N5 and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride
PubChem CID171687273
Molecular FormulaC13H19Cl2N5
Molecular Weight316.24 g/mol
Exact Mass315.10
IUPAC Name4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride
SMILESCc1nc(C2CCNCC2)cc(-n2ccnc2)n1.Cl.Cl
InChIInChI=1S/C13H17N5.2ClH/c1-10-16-12(11-2-4-14-5-3-11)8-13(17-10)18-7-6-15-9-18;;/h6-9,11,14H,2-5H2,1H3;2*1H
InChIKeySSIHEJMGRKLJSQ-UHFFFAOYSA-N
XLogP2.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95820903
5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride
CID 171687283
6-imidazol-1-yl-2-methylpyrimidin-4-amine
CID 80854231
1-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidin-4-yl]azepane
CID 56704649
4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
CID 165434530
(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95204087
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902
4-(3-bromo-4-imidazol-1-ylphenyl)piperidine
CID 117491374
4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
CID 110090018
2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 95197903
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
CID 56882461

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride?
The IUPAC name of 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride (CID 171687273) is 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride?
The canonical SMILES for 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride is Cc1nc(C2CCNCC2)cc(-n2ccnc2)n1.Cl.Cl.
What is the InChIKey of 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride?
The InChIKey is SSIHEJMGRKLJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.2ClH/c1-10-16-12(11-2-4-14-5-3-11)8-13(17-10)18-7-6-15-9-18;;/h6-9,11,14H,2-5H2,1H3;2*1H.
What are the key properties of 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride?
4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride has a molecular weight of 316.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 171687273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).