methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate

C24H28N4O4 — CID 144632481

IUPACmethane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate
SMILESC.COC(=O)Cn1ccc(-c2cnc(C)nc2OCC2CC2c2ccc(C)cn2)cc1=O
InChIInChI=1S/C23H24N4O4.CH4/c1-14-4-5-20(25-10-14)18-8-17(18)13-31-23-19(11-24-15(2)26-23)16-6-7-27(21(28)9-16)12-22(29)30-3;/h4-7,9-11,17-18H,8,12-13H2,1-3H3;1H4
InChIKeyWCGIRBYVBPCIMT-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.31
Rot. Bonds7

About methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate

methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate (PubChem CID 144632481) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate
PubChem CID144632481
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namemethane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate
SMILESC.COC(=O)Cn1ccc(-c2cnc(C)nc2OCC2CC2c2ccc(C)cn2)cc1=O
InChIInChI=1S/C23H24N4O4.CH4/c1-14-4-5-20(25-10-14)18-8-17(18)13-31-23-19(11-24-15(2)26-23)16-6-7-27(21(28)9-16)12-22(29)30-3;/h4-7,9-11,17-18H,8,12-13H2,1-3H3;1H4
InChIKeyWCGIRBYVBPCIMT-UHFFFAOYSA-N
XLogP3.31
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129159916
1,3-dimethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160088
2-methyl-5-(6-methylpyridazin-4-yl)-4-[[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 144632677
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
CID 118434178
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-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071
1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 123583098
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(2-propan-2-yloxy-4-pyridinyl)pyrimidine
CID 123624196
3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
CID 123326964
2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
CID 123269816
4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,2-oxazol-5-one
CID 123602873
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate (CID 144632481) is methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate is C.COC(=O)Cn1ccc(-c2cnc(C)nc2OCC2CC2c2ccc(C)cn2)cc1=O.
What is the InChIKey of methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate?
The InChIKey is WCGIRBYVBPCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4.CH4/c1-14-4-5-20(25-10-14)18-8-17(18)13-31-23-19(11-24-15(2)26-23)16-6-7-27(21(28)9-16)12-22(29)30-3;/h4-7,9-11,17-18H,8,12-13H2,1-3H3;1H4.
What are the key properties of methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate?
methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate has a molecular weight of 436.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-[4-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 144632481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).