5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

C23H31N3O — CID 129167315

IUPAC5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(C)(C)CC2)nc1
InChIInChI=1S/C23H31N3O/c1-15-5-6-21(25-12-15)19-11-18(19)14-27-22-20(13-24-16(2)26-22)17-7-9-23(3,4)10-8-17/h5-6,12-13,17-19H,7-11,14H2,1-4H3/t18-,19+/m1/s1
InChIKeyUFQWVOVHRPJBRC-MOPGFXCFSA-N
MW365.52 g/mol
LogP5.35
Rot. Bonds5

About 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (PubChem CID 129167315) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
PubChem CID129167315
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(C)(C)CC2)nc1
InChIInChI=1S/C23H31N3O/c1-15-5-6-21(25-12-15)19-11-18(19)14-27-22-20(13-24-16(2)26-22)17-7-9-23(3,4)10-8-17/h5-6,12-13,17-19H,7-11,14H2,1-4H3/t18-,19+/m1/s1
InChIKeyUFQWVOVHRPJBRC-MOPGFXCFSA-N
XLogP5.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine with MolForge

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Related Compounds

4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
CID 90182156
5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine
CID 118468024
4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol
CID 118468030
5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2S)-2-(4-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 118468036
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexane-1-carboxamide
CID 90182144
2-[(1S,2S)-2-[[5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 118468055
3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one
CID 118468070
cis-(1S,3R)-3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol;cis-(1R,3S)-3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
CID 157066367
2-methyl-5-(6-methylpyridazin-4-yl)-4-[[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 144632677
4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 123338581
3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 118468040
1,3-dimethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160088

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The IUPAC name of 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (CID 129167315) is 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.
What is the SMILES notation for 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The canonical SMILES for 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(C)(C)CC2)nc1.
What is the InChIKey of 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The InChIKey is UFQWVOVHRPJBRC-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H31N3O/c1-15-5-6-21(25-12-15)19-11-18(19)14-27-22-20(13-24-16(2)26-22)17-7-9-23(3,4)10-8-17/h5-6,12-13,17-19H,7-11,14H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine has a molecular weight of 365.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is sourced from PubChem (CID 129167315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).