2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine

C19H28N6 — CID 10308804

IUPAC2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine
SMILESCC1CCC(c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)CC1
InChIInChI=1S/C19H28N6/c1-15-3-5-16(6-4-15)18-22-13-17(23-18)14-24-9-11-25(12-10-24)19-20-7-2-8-21-19/h2,7-8,13,15-16H,3-6,9-12,14H2,1H3,(H,22,23)
InChIKeyMTMXSVWUMHDJLZ-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.82
Rot. Bonds4

About 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine

2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 10308804) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine
PubChem CID10308804
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine
SMILESCC1CCC(c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)CC1
InChIInChI=1S/C19H28N6/c1-15-3-5-16(6-4-15)18-22-13-17(23-18)14-24-9-11-25(12-10-24)19-20-7-2-8-21-19/h2,7-8,13,15-16H,3-6,9-12,14H2,1H3,(H,22,23)
InChIKeyMTMXSVWUMHDJLZ-UHFFFAOYSA-N
XLogP2.82
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine (CID 10308804) is 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine is CC1CCC(c2ncc(CN3CCN(c4ncccn4)CC3)[nH]2)CC1.
What is the InChIKey of 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is MTMXSVWUMHDJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-15-3-5-16(6-4-15)18-22-13-17(23-18)14-24-9-11-25(12-10-24)19-20-7-2-8-21-19/h2,7-8,13,15-16H,3-6,9-12,14H2,1H3,(H,22,23).
What are the key properties of 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine?
2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 340.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 10308804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).