4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol

C22H29N3O2 — CID 90182156

IUPAC4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
SMILESCCc1ccc([C@@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(O)CC2)nc1
InChIInChI=1S/C22H29N3O2/c1-3-15-4-9-21(24-11-15)19-10-17(19)13-27-22-20(12-23-14(2)25-22)16-5-7-18(26)8-6-16/h4,9,11-12,16-19,26H,3,5-8,10,13H2,1-2H3/t16?,17-,18?,19-/m1/s1
InChIKeyLUGLKPNUGFHDNL-JWHDQAAXSA-N
MW367.49 g/mol
LogP3.94
Rot. Bonds6

About 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol

4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol (PubChem CID 90182156) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
PubChem CID90182156
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
SMILESCCc1ccc([C@@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(O)CC2)nc1
InChIInChI=1S/C22H29N3O2/c1-3-15-4-9-21(24-11-15)19-10-17(19)13-27-22-20(12-23-14(2)25-22)16-5-7-18(26)8-6-16/h4,9,11-12,16-19,26H,3,5-8,10,13H2,1-2H3/t16?,17-,18?,19-/m1/s1
InChIKeyLUGLKPNUGFHDNL-JWHDQAAXSA-N
XLogP3.94
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
CID 71085908
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohex-3-en-1-ol
CID 71086089
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrimidine
CID 71488707
5-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1,6-dimethylpyridin-2-one
CID 76072966
1,6-dimethyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxopyridine-3-carbonitrile
CID 76072968
3-ethyl-1-methyl-5-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 76072969
1-cyclopropyl-4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 76073008
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-prop-2-enylpyridin-2-one
CID 76073012
4-[2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-prop-2-enylpyridin-2-one
CID 76073044
4-[4-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-1-methylpyridin-2-one
CID 76073081
4-[2-methyl-4-[[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy]pyrimidin-5-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 76073086
1-ethyl-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 76073159

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol (CID 90182156) is 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol is CCc1ccc([C@@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(O)CC2)nc1.
What is the InChIKey of 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol?
The InChIKey is LUGLKPNUGFHDNL-JWHDQAAXSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-15-4-9-21(24-11-15)19-10-17(19)13-27-22-20(12-23-14(2)25-22)16-5-7-18(26)8-6-16/h4,9,11-12,16-19,26H,3,5-8,10,13H2,1-2H3/t16?,17-,18?,19-/m1/s1.
What are the key properties of 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol?
4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol has a molecular weight of 367.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 90182156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).