cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine

C20H25N3O2 — CID 144632685

IUPACcyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine
SMILESC1=CCC1.COc1ccc(C2CC2COc2nc(C)ncc2C)nc1
InChIInChI=1S/C16H19N3O2.C4H6/c1-10-7-17-11(2)19-16(10)21-9-12-6-14(12)15-5-4-13(20-3)8-18-15;1-2-4-3-1/h4-5,7-8,12,14H,6,9H2,1-3H3;1-2H,3-4H2
InChIKeyOJSAYTMVCVHBFV-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.02
Rot. Bonds5

About cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine

cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine (PubChem CID 144632685) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine.

Molecular Properties

Compound Namecyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine
PubChem CID144632685
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Namecyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine
SMILESC1=CCC1.COc1ccc(C2CC2COc2nc(C)ncc2C)nc1
InChIInChI=1S/C16H19N3O2.C4H6/c1-10-7-17-11(2)19-16(10)21-9-12-6-14(12)15-5-4-13(20-3)8-18-15;1-2-4-3-1/h4-5,7-8,12,14H,6,9H2,1-3H3;1-2H,3-4H2
InChIKeyOJSAYTMVCVHBFV-UHFFFAOYSA-N
XLogP4.02
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632598
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71488705
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole
CID 90182321
3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one
CID 118468070
4-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071
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
5-(3-methoxy-1-methylpyrazol-5-yl)-4-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632580
3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazole
CID 123839926
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexane-1-carboxamide
CID 90182144
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
CID 118434178
4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,2-oxazol-5-one
CID 123602873
3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 118468040

Frequently Asked Questions

What is the IUPAC name of cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine?
The IUPAC name of cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine (CID 144632685) is cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine.
What is the SMILES notation for cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine?
The canonical SMILES for cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine is C1=CCC1.COc1ccc(C2CC2COc2nc(C)ncc2C)nc1.
What is the InChIKey of cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine?
The InChIKey is OJSAYTMVCVHBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.C4H6/c1-10-7-17-11(2)19-16(10)21-9-12-6-14(12)15-5-4-13(20-3)8-18-15;1-2-4-3-1/h4-5,7-8,12,14H,6,9H2,1-3H3;1-2H,3-4H2.
What are the key properties of cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine?
cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine has a molecular weight of 339.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine is sourced from PubChem (CID 144632685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).