methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate

C15H23N3O3 — CID 66285067

IUPACmethyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCOC2CCCCC2)n1
InChIInChI=1S/C15H23N3O3/c1-11-10-13(18-14(17-11)15(19)20-2)16-8-9-21-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyZQILSSPHFDKFFQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.33
Rot. Bonds6

About methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate

methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate (PubChem CID 66285067) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
PubChem CID66285067
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCOC2CCCCC2)n1
InChIInChI=1S/C15H23N3O3/c1-11-10-13(18-14(17-11)15(19)20-2)16-8-9-21-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyZQILSSPHFDKFFQ-UHFFFAOYSA-N
XLogP2.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-[2-(azepan-1-yl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285238
methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
CID 66285017
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
6-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]hexanoic acid
CID 66288196
methyl 4-methyl-6-[(2-methylcycloheptyl)amino]pyrimidine-2-carboxylate
CID 66285279
4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80846025
methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate
CID 106127799
methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate
CID 116895236
methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
CID 66285498
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate (CID 66285067) is methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCCOC2CCCCC2)n1.
What is the InChIKey of methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate?
The InChIKey is ZQILSSPHFDKFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-10-13(18-14(17-11)15(19)20-2)16-8-9-21-12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate?
methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66285067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).