methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate

C16H20N4O4 — CID 166368545

IUPACmethyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc2nccn2c(NC2CCC(C(=O)OC)CC2)n1
InChIInChI=1S/C16H20N4O4/c1-23-14(21)10-3-5-11(6-4-10)18-16-19-12(15(22)24-2)9-13-17-7-8-20(13)16/h7-11H,3-6H2,1-2H3,(H,18,19)
InChIKeyLRMIUQSPMOFVHD-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.66
Rot. Bonds4

About methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate

methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate (PubChem CID 166368545) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate
PubChem CID166368545
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Namemethyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc2nccn2c(NC2CCC(C(=O)OC)CC2)n1
InChIInChI=1S/C16H20N4O4/c1-23-14(21)10-3-5-11(6-4-10)18-16-19-12(15(22)24-2)9-13-17-7-8-20(13)16/h7-11H,3-6H2,1-2H3,(H,18,19)
InChIKeyLRMIUQSPMOFVHD-UHFFFAOYSA-N
XLogP1.66
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate (CID 166368545) is methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate is COC(=O)c1cc2nccn2c(NC2CCC(C(=O)OC)CC2)n1.
What is the InChIKey of methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate?
The InChIKey is LRMIUQSPMOFVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-23-14(21)10-3-5-11(6-4-10)18-16-19-12(15(22)24-2)9-13-17-7-8-20(13)16/h7-11H,3-6H2,1-2H3,(H,18,19).
What are the key properties of methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate?
methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxycarbonylcyclohexyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylate is sourced from PubChem (CID 166368545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).