4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol

C24H32N2O2 — CID 123275753

IUPAC4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
SMILESCCc1cc(C)ccc1C1CC1COc1nc(C)ncc1C1CCC(O)CC1
InChIInChI=1S/C24H32N2O2/c1-4-17-11-15(2)5-10-21(17)22-12-19(22)14-28-24-23(13-25-16(3)26-24)18-6-8-20(27)9-7-18/h5,10-11,13,18-20,22,27H,4,6-9,12,14H2,1-3H3
InChIKeyUHZKJYCHEUNBML-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.86
Rot. Bonds6

About 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol

4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol (PubChem CID 123275753) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
PubChem CID123275753
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
SMILESCCc1cc(C)ccc1C1CC1COc1nc(C)ncc1C1CCC(O)CC1
InChIInChI=1S/C24H32N2O2/c1-4-17-11-15(2)5-10-21(17)22-12-19(22)14-28-24-23(13-25-16(3)26-24)18-6-8-20(27)9-7-18/h5,10-11,13,18-20,22,27H,4,6-9,12,14H2,1-3H3
InChIKeyUHZKJYCHEUNBML-UHFFFAOYSA-N
XLogP4.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol (CID 123275753) is 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol is CCc1cc(C)ccc1C1CC1COc1nc(C)ncc1C1CCC(O)CC1.
What is the InChIKey of 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol?
The InChIKey is UHZKJYCHEUNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-17-11-15(2)5-10-21(17)22-12-19(22)14-28-24-23(13-25-16(3)26-24)18-6-8-20(27)9-7-18/h5,10-11,13,18-20,22,27H,4,6-9,12,14H2,1-3H3.
What are the key properties of 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol?
4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol has a molecular weight of 380.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 123275753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).