ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate

C15H23N3O3 — CID 90634770

IUPACethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H23N3O3/c1-4-20-15(19)18-12-5-7-13(8-6-12)21-14-16-10(2)9-11(3)17-14/h9,12-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyCXJDECYQICNELY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.53
Rot. Bonds4

About ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate

ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate (PubChem CID 90634770) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
PubChem CID90634770
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H23N3O3/c1-4-20-15(19)18-12-5-7-13(8-6-12)21-14-16-10(2)9-11(3)17-14/h9,12-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyCXJDECYQICNELY-UHFFFAOYSA-N
XLogP2.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
CID 90634997
(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide
CID 90634657
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(3-phenylpropyl)urea
CID 90634987
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butane-1-sulfonamide
CID 90635022
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90634797
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 90634902
2-(difluoromethylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634865
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 90634916

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate?
The IUPAC name of ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate (CID 90634770) is ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate?
The canonical SMILES for ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate is CCOC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate?
The InChIKey is CXJDECYQICNELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-20-15(19)18-12-5-7-13(8-6-12)21-14-16-10(2)9-11(3)17-14/h9,12-13H,4-8H2,1-3H3,(H,18,19).
What are the key properties of ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate?
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate is sourced from PubChem (CID 90634770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).