ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate

C15H22N2O3 — CID 123156657

IUPACethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cnc(C)nc2OC)CC1
InChIInChI=1S/C15H22N2O3/c1-4-20-15(18)12-7-5-11(6-8-12)13-9-16-10(2)17-14(13)19-3/h9,11-12H,4-8H2,1-3H3
InChIKeyGHXLOABTVXEGLG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.63
Rot. Bonds4

About ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate

ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate (PubChem CID 123156657) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate
PubChem CID123156657
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cnc(C)nc2OC)CC1
InChIInChI=1S/C15H22N2O3/c1-4-20-15(18)12-7-5-11(6-8-12)13-9-16-10(2)17-14(13)19-3/h9,11-12H,4-8H2,1-3H3
InChIKeyGHXLOABTVXEGLG-UHFFFAOYSA-N
XLogP2.63
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohexyl]acetate
CID 169178267
Ethyl 4-(4-chloro-2-methyl-5-pyrimidinyl)cyclohexanecarboxylate
CID 90182159
4-[2-Methyl-4-[(2-propanimidoylcyclopropyl)methoxy]pyrimidin-5-yl]cyclohexan-1-one
CID 123597128
3-[4-[[2-(3,7-Dimethylnona-4,6-dien-4-yl)cycloprop-2-en-1-yl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 123645283
3-[4-[[2-(5-Methoxy-7-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 123993204
5-Dodecan-6-yl-2,4-dimethoxypyrimidine
CID 134572301
2,4-Dimethoxy-5-(4-propan-2-ylcyclohexyl)pyrimidine
CID 140629111
4-[4-[[2-(5,5-Dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 144632518
4-[4-[[2-(4,5-Dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 144632648
Ethyl 4-(2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate
CID 155404788
Ethyl 5-(2-cyclohexylpyrimidin-5-yl)pentanoate
CID 157438912
Ethane;ethyl 4-(2-methoxypyrimidin-5-yl)cyclohexane-1-carboxylate
CID 163374041

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate (CID 123156657) is ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2cnc(C)nc2OC)CC1.
What is the InChIKey of ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate?
The InChIKey is GHXLOABTVXEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-15(18)12-7-5-11(6-8-12)13-9-16-10(2)17-14(13)19-3/h9,11-12H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate?
ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 123156657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).