2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine

C20H29N5 — CID 77095672

IUPAC2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
SMILESc1cn(CC2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)cn1
InChIInChI=1S/C20H29N5/c1-2-4-19(5-3-1)20-22-12-18(13-23-20)15-24-9-6-17(7-10-24)14-25-11-8-21-16-25/h8,11-13,16-17,19H,1-7,9-10,14-15H2
InChIKeyUKNVIJIWHFHDEX-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.63
Rot. Bonds5

About 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine

2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 77095672) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID77095672
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
SMILESc1cn(CC2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)cn1
InChIInChI=1S/C20H29N5/c1-2-4-19(5-3-1)20-22-12-18(13-23-20)15-24-9-6-17(7-10-24)14-25-11-8-21-16-25/h8,11-13,16-17,19H,1-7,9-10,14-15H2
InChIKeyUKNVIJIWHFHDEX-UHFFFAOYSA-N
XLogP3.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine (CID 77095672) is 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine is c1cn(CC2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)cn1.
What is the InChIKey of 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is UKNVIJIWHFHDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-2-4-19(5-3-1)20-22-12-18(13-23-20)15-24-9-6-17(7-10-24)14-25-11-8-21-16-25/h8,11-13,16-17,19H,1-7,9-10,14-15H2.
What are the key properties of 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine?
2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 339.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 77095672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).