methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate

C15H19N3O3 — CID 114450664

IUPACmethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCc2cn3cccnc3n2)CC1
InChIInChI=1S/C15H19N3O3/c1-20-14(19)11-3-5-13(6-4-11)21-10-12-9-18-8-2-7-16-15(18)17-12/h2,7-9,11,13H,3-6,10H2,1H3
InChIKeyJPYAOLYDCSPFGO-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.98
Rot. Bonds4

About methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate

methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate (PubChem CID 114450664) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate
PubChem CID114450664
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCc2cn3cccnc3n2)CC1
InChIInChI=1S/C15H19N3O3/c1-20-14(19)11-3-5-13(6-4-11)21-10-12-9-18-8-2-7-16-15(18)17-12/h2,7-9,11,13H,3-6,10H2,1H3
InChIKeyJPYAOLYDCSPFGO-UHFFFAOYSA-N
XLogP1.98
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate (CID 114450664) is methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate is COC(=O)C1CCC(OCc2cn3cccnc3n2)CC1.
What is the InChIKey of methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate?
The InChIKey is JPYAOLYDCSPFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-14(19)11-3-5-13(6-4-11)21-10-12-9-18-8-2-7-16-15(18)17-12/h2,7-9,11,13H,3-6,10H2,1H3.
What are the key properties of methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate?
methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 114450664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).