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

C23H30N2O2 — CID 144632648

IUPAC4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
SMILESCC1=CC=C(C2CC2COc2nc(C)ncc2C2CCC(=O)CC2)CC1C
InChIInChI=1S/C23H30N2O2/c1-14-4-5-18(10-15(14)2)21-11-19(21)13-27-23-22(12-24-16(3)25-23)17-6-8-20(26)9-7-17/h4-5,12,15,17,19,21H,6-11,13H2,1-3H3
InChIKeyGOMAJNFHDJJCKG-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.94
Rot. Bonds5

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

4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one (PubChem CID 144632648) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
PubChem CID144632648
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
SMILESCC1=CC=C(C2CC2COc2nc(C)ncc2C2CCC(=O)CC2)CC1C
InChIInChI=1S/C23H30N2O2/c1-14-4-5-18(10-15(14)2)21-11-19(21)13-27-23-22(12-24-16(3)25-23)17-6-8-20(26)9-7-17/h4-5,12,15,17,19,21H,6-11,13H2,1-3H3
InChIKeyGOMAJNFHDJJCKG-UHFFFAOYSA-N
XLogP4.94
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
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
5-Bromo-4-[[2-(7-methoxy-3-methylideneocta-4,6-dien-4-yl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 123455165
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one (CID 144632648) is 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one is CC1=CC=C(C2CC2COc2nc(C)ncc2C2CCC(=O)CC2)CC1C.
What is the InChIKey of 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one?
The InChIKey is GOMAJNFHDJJCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-14-4-5-18(10-15(14)2)21-11-19(21)13-27-23-22(12-24-16(3)25-23)17-6-8-20(26)9-7-17/h4-5,12,15,17,19,21H,6-11,13H2,1-3H3.
What are the key properties of 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one?
4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one has a molecular weight of 366.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(4,5-dimethylcyclohexa-1,3-dien-1-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one is sourced from PubChem (CID 144632648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).