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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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).