ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

C23H33N3O — CID 144632679

IUPACethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCCC1CCCCC1.Cc1ccc([C@H]2CC2COc2ccnc(C)n2)nc1
InChIInChI=1S/C15H17N3O.C8H16/c1-10-3-4-14(17-8-10)13-7-12(13)9-19-15-5-6-16-11(2)18-15;1-2-8-6-4-3-5-7-8/h3-6,8,12-13H,7,9H2,1-2H3;8H,2-7H2,1H3/t12?,13-;/m0./s1
InChIKeyZSCLCHITARCDEH-ZEDZUCNESA-N
MW367.54 g/mol
LogP5.65
Rot. Bonds5

About ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (PubChem CID 144632679) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.

Molecular Properties

Compound Nameethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
PubChem CID144632679
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Nameethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCCC1CCCCC1.Cc1ccc([C@H]2CC2COc2ccnc(C)n2)nc1
InChIInChI=1S/C15H17N3O.C8H16/c1-10-3-4-14(17-8-10)13-7-12(13)9-19-15-5-6-16-11(2)18-15;1-2-8-6-4-3-5-7-8/h3-6,8,12-13H,7,9H2,1-2H3;8H,2-7H2,1H3/t12?,13-;/m0./s1
InChIKeyZSCLCHITARCDEH-ZEDZUCNESA-N
XLogP5.65
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-2-(ethoxymethyl)cyclopropyl]-5-methylpyridine
CID 129167431
5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 129167315
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272176
3-methyl-6-[2-methyl-4-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]imidazo[1,2-a]pyridine
CID 129167406
4-(cyclopropylmethoxy)-2-methylpyrimidine;6,7-dihydro-5H-cyclopenta[c]pyridine
CID 144632432
2-cyclohexyl-5-methylpyridine
CID 83382376
cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol
CID 97036881
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
CID 144538418
4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
CID 90182156
1,3-dimethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160088
2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridine
CID 140658804

Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The IUPAC name of ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (CID 144632679) is ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.
What is the SMILES notation for ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The canonical SMILES for ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is CCC1CCCCC1.Cc1ccc([C@H]2CC2COc2ccnc(C)n2)nc1.
What is the InChIKey of ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The InChIKey is ZSCLCHITARCDEH-ZEDZUCNESA-N. The full InChI is InChI=1S/C15H17N3O.C8H16/c1-10-3-4-14(17-8-10)13-7-12(13)9-19-15-5-6-16-11(2)18-15;1-2-8-6-4-3-5-7-8/h3-6,8,12-13H,7,9H2,1-2H3;8H,2-7H2,1H3/t12?,13-;/m0./s1.
What are the key properties of ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine has a molecular weight of 367.54 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is sourced from PubChem (CID 144632679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).