methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate

C12H15N3O4 — CID 66284729

IUPACmethyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N2CCCC2C(=O)OC)n1
InChIInChI=1S/C12H15N3O4/c1-18-11(16)8-4-3-7-15(8)9-5-6-13-10(14-9)12(17)19-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyWRGHITYFXAVTLL-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.41
Rot. Bonds3

About methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate

methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate (PubChem CID 66284729) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
PubChem CID66284729
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N2CCCC2C(=O)OC)n1
InChIInChI=1S/C12H15N3O4/c1-18-11(16)8-4-3-7-15(8)9-5-6-13-10(14-9)12(17)19-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyWRGHITYFXAVTLL-UHFFFAOYSA-N
XLogP0.41
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 66284509
methyl 4-[2-(2-aminoethyl)piperidin-1-yl]pyrimidine-2-carboxylate
CID 66287123
methyl (2S)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 134560491
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290680
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
methyl 1-(4-carbamothioyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 43473975
methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
methyl 1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 55031092
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate (CID 66284729) is methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate is COC(=O)c1nccc(N2CCCC2C(=O)OC)n1.
What is the InChIKey of methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate?
The InChIKey is WRGHITYFXAVTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-18-11(16)8-4-3-7-15(8)9-5-6-13-10(14-9)12(17)19-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate?
methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidine-2-carboxylate is sourced from PubChem (CID 66284729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).