ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate

C19H24N4O2 — CID 133387241

IUPACethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2nc(-c3cccnc3)nc(C)c2C)C1
InChIInChI=1S/C19H24N4O2/c1-5-25-18(24)19(4)8-10-23(12-19)17-13(2)14(3)21-16(22-17)15-7-6-9-20-11-15/h6-7,9,11H,5,8,10,12H2,1-4H3
InChIKeyJXLHBAPJRPGTPA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.93
Rot. Bonds4

About ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate

ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate (PubChem CID 133387241) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
PubChem CID133387241
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nameethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2nc(-c3cccnc3)nc(C)c2C)C1
InChIInChI=1S/C19H24N4O2/c1-5-25-18(24)19(4)8-10-23(12-19)17-13(2)14(3)21-16(22-17)15-7-6-9-20-11-15/h6-7,9,11H,5,8,10,12H2,1-4H3
InChIKeyJXLHBAPJRPGTPA-UHFFFAOYSA-N
XLogP2.93
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-1-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)pyrrolidine-3-carboxylate
CID 133387229
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 133317426
2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349720
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133310277
ethyl 3-methyl-1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylate
CID 133387279
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 139881750
(3aS,6aR)-2-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063296
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133319218

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate (CID 133387241) is ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate is CCOC(=O)C1(C)CCN(c2nc(-c3cccnc3)nc(C)c2C)C1.
What is the InChIKey of ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate?
The InChIKey is JXLHBAPJRPGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-25-18(24)19(4)8-10-23(12-19)17-13(2)14(3)21-16(22-17)15-7-6-9-20-11-15/h6-7,9,11H,5,8,10,12H2,1-4H3.
What are the key properties of ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate?
ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 133387241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).