4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one

C24H30N2O2 — CID 144632518

IUPAC4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
SMILESC=C1C(C2CC2COc2nc(C)ncc2C2CCC(=O)CC2)=CC=CC1(C)C
InChIInChI=1S/C24H30N2O2/c1-15-20(6-5-11-24(15,3)4)21-12-18(21)14-28-23-22(13-25-16(2)26-23)17-7-9-19(27)10-8-17/h5-6,11,13,17-18,21H,1,7-10,12,14H2,2-4H3
InChIKeyMSYRMBYCUGAEFN-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.11
Rot. Bonds5

About 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one

4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one (PubChem CID 144632518) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
PubChem CID144632518
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
SMILESC=C1C(C2CC2COc2nc(C)ncc2C2CCC(=O)CC2)=CC=CC1(C)C
InChIInChI=1S/C24H30N2O2/c1-15-20(6-5-11-24(15,3)4)21-12-18(21)14-28-23-22(13-25-16(2)26-23)17-7-9-19(27)10-8-17/h5-6,11,13,17-18,21H,1,7-10,12,14H2,2-4H3
InChIKeyMSYRMBYCUGAEFN-UHFFFAOYSA-N
XLogP5.11
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one with MolForge

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Related Compounds

4-[4-[[2-(7-Methoxy-3-methylideneocta-4,6-dien-4-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 123471016
4-(2,3,3a,4-tetrahydro-1H-inden-2-yloxy)-5-(2-fluorobutan-2-yl)-2-methylpyrimidine
CID 123943623
4-[4-[[2-(4-Methoxy-5-methylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 144632452
Ethyl 4-(4-methoxy-2-methylpyrimidin-5-yl)cyclohexane-1-carboxylate
CID 123156657
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
1-Methyl-5-[2-methyl-4-[[2-methyl-3-(7-methyl-3-methylideneocta-4,6-dien-4-yl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 123223487
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
4-[4-[[2-(2-Ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 123338581
4-[2-Methyl-4-[(2-propanimidoylcyclopropyl)methoxy]pyrimidin-5-yl]cyclohexan-1-one
CID 123597128
4-[4-[[2-(2-Ethyl-5-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 123620909
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
1-Ethyl-5-[4-[[2-(7-methoxy-3-methylideneocta-4,6-dien-4-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 123677459

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one (CID 144632518) is 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one is C=C1C(C2CC2COc2nc(C)ncc2C2CCC(=O)CC2)=CC=CC1(C)C.
What is the InChIKey of 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one?
The InChIKey is MSYRMBYCUGAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-15-20(6-5-11-24(15,3)4)21-12-18(21)14-28-23-22(13-25-16(2)26-23)17-7-9-19(27)10-8-17/h5-6,11,13,17-18,21H,1,7-10,12,14H2,2-4H3.
What are the key properties of 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one?
4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one has a molecular weight of 378.52 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(5,5-dimethyl-6-methylidenecyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one is sourced from PubChem (CID 144632518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).