2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine

C20H30N6 — CID 77086840

IUPAC2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine
SMILESCn1ccnc1CN1CCN(Cc2cnc(C3CCCCC3)nc2)CC1
InChIInChI=1S/C20H30N6/c1-24-8-7-21-19(24)16-26-11-9-25(10-12-26)15-17-13-22-20(23-14-17)18-5-3-2-4-6-18/h7-8,13-14,18H,2-6,9-12,15-16H2,1H3
InChIKeyHBHASXQZFYVXJP-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine

2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine (PubChem CID 77086840) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine
PubChem CID77086840
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine
SMILESCn1ccnc1CN1CCN(Cc2cnc(C3CCCCC3)nc2)CC1
InChIInChI=1S/C20H30N6/c1-24-8-7-21-19(24)16-26-11-9-25(10-12-26)15-17-13-22-20(23-14-17)18-5-3-2-4-6-18/h7-8,13-14,18H,2-6,9-12,15-16H2,1H3
InChIKeyHBHASXQZFYVXJP-UHFFFAOYSA-N
XLogP2.58
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine (CID 77086840) is 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine is Cn1ccnc1CN1CCN(Cc2cnc(C3CCCCC3)nc2)CC1.
What is the InChIKey of 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine?
The InChIKey is HBHASXQZFYVXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-24-8-7-21-19(24)16-26-11-9-25(10-12-26)15-17-13-22-20(23-14-17)18-5-3-2-4-6-18/h7-8,13-14,18H,2-6,9-12,15-16H2,1H3.
What are the key properties of 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine?
2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine has a molecular weight of 354.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 77086840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).