4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol

C23H28N2O2 — CID 123245305

IUPAC4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol
SMILESCC1=C2C=CC=C(C3CC3COc3nc(C)ncc3C3CCC(O)CC3)C12
InChIInChI=1S/C23H28N2O2/c1-13-18-4-3-5-19(22(13)18)20-10-16(20)12-27-23-21(11-24-14(2)25-23)15-6-8-17(26)9-7-15/h3-5,11,15-17,20,22,26H,6-10,12H2,1-2H3
InChIKeyMGXNTIHTRNLTNZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.26
Rot. Bonds5

About 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol

4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol (PubChem CID 123245305) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol
PubChem CID123245305
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol
SMILESCC1=C2C=CC=C(C3CC3COc3nc(C)ncc3C3CCC(O)CC3)C12
InChIInChI=1S/C23H28N2O2/c1-13-18-4-3-5-19(22(13)18)20-10-16(20)12-27-23-21(11-24-14(2)25-23)15-6-8-17(26)9-7-15/h3-5,11,15-17,20,22,26H,6-10,12H2,1-2H3
InChIKeyMGXNTIHTRNLTNZ-UHFFFAOYSA-N
XLogP4.26
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine
CID 123943623
N-[1-[2-[[5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]-4-methylpenta-1,3-dienyl]methanimine
CID 124009925
5-(3-ethyl-1-methyl-2H-pyridin-5-yl)-2-methyl-4-[[1-methyl-2-(7-methyl-3-methylideneocta-4,6-dien-4-yl)cyclopropyl]methoxy]pyrimidine
CID 123192858
4-[4-[[2-(2-Ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
CID 123275753
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
5-Bromo-4-[[2-(4-methoxy-6,7-dimethylcyclohepta-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 123878013
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
4-[[2-(1-Cyclooctylidene-4-methylidenehex-2-en-3-yl)cyclopropyl]methoxy]-5-ethyl-2-methylpyrimidine
CID 124014947
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
3-[4-(Cyclopropylmethoxy)-2-methylpyrimidin-5-yl]-2-methylcyclopent-2-en-1-ol
CID 144480489
4-[4-(Cyclopropylmethoxy)-2-methylpyrimidin-5-yl]cyclohex-3-en-1-ol
CID 144480559

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol (CID 123245305) is 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol is CC1=C2C=CC=C(C3CC3COc3nc(C)ncc3C3CCC(O)CC3)C12.
What is the InChIKey of 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol?
The InChIKey is MGXNTIHTRNLTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-13-18-4-3-5-19(22(13)18)20-10-16(20)12-27-23-21(11-24-14(2)25-23)15-6-8-17(26)9-7-15/h3-5,11,15-17,20,22,26H,6-10,12H2,1-2H3.
What are the key properties of 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol?
4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol has a molecular weight of 364.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-[[2-(7-methyl-2-bicyclo[4.1.0]hepta-2,4,6-trienyl)cyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 123245305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).