3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one

C20H23N3O3 — CID 118468070

IUPAC3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(=O)C2)nc1
InChIInChI=1S/C20H23N3O3/c1-12-21-10-18(13-3-4-15(24)7-13)20(23-12)26-11-14-8-17(14)19-6-5-16(25-2)9-22-19/h5-6,9-10,13-14,17H,3-4,7-8,11H2,1-2H3/t13?,14-,17+/m1/s1
InChIKeyIVSJMAQEKGGGTN-ROFXEPAZSA-N
MW353.42 g/mol
LogP3.21
Rot. Bonds6

About 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one

3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one (PubChem CID 118468070) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one
PubChem CID118468070
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(=O)C2)nc1
InChIInChI=1S/C20H23N3O3/c1-12-21-10-18(13-3-4-15(24)7-13)20(23-12)26-11-14-8-17(14)19-6-5-16(25-2)9-22-19/h5-6,9-10,13-14,17H,3-4,7-8,11H2,1-2H3/t13?,14-,17+/m1/s1
InChIKeyIVSJMAQEKGGGTN-ROFXEPAZSA-N
XLogP3.21
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one with MolForge

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Related Compounds

3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 118468040
4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexane-1-carboxamide
CID 90182144
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-methoxy-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632598
cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine
CID 144632685
5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 129167315
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71488705
4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 123338581
4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,2-oxazol-5-one
CID 123602873
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
CID 118434178
6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one
CID 129160221
4-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one?
The IUPAC name of 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one (CID 118468070) is 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one?
The canonical SMILES for 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2CCC(=O)C2)nc1.
What is the InChIKey of 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one?
The InChIKey is IVSJMAQEKGGGTN-ROFXEPAZSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-21-10-18(13-3-4-15(24)7-13)20(23-12)26-11-14-8-17(14)19-6-5-16(25-2)9-22-19/h5-6,9-10,13-14,17H,3-4,7-8,11H2,1-2H3/t13?,14-,17+/m1/s1.
What are the key properties of 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one?
3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one has a molecular weight of 353.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one is sourced from PubChem (CID 118468070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).