ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate

C16H21N5O2 — CID 58654382

IUPACethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(C)C1c1cc(C)nc(-n2ccnc2)n1
InChIInChI=1S/C16H21N5O2/c1-4-23-15(22)12-5-7-20(3)14(12)13-9-11(2)18-16(19-13)21-8-6-17-10-21/h6,8-10,12,14H,4-5,7H2,1-3H3
InChIKeyVCKWJXKMVPQVAQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.53
Rot. Bonds4

About ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate

ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate (PubChem CID 58654382) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate
PubChem CID58654382
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Nameethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(C)C1c1cc(C)nc(-n2ccnc2)n1
InChIInChI=1S/C16H21N5O2/c1-4-23-15(22)12-5-7-20(3)14(12)13-9-11(2)18-16(19-13)21-8-6-17-10-21/h6,8-10,12,14H,4-5,7H2,1-3H3
InChIKeyVCKWJXKMVPQVAQ-UHFFFAOYSA-N
XLogP1.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1,3-dicarboxylic acid
CID 69362782
2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-3-(methylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68690148
tert-butyl (2S,3S)-3-carbamothioyl-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 124584411
ethyl 2-[(2R,3R)-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxylate
CID 124583945
ethyl 4-(benzylamino)-2-imidazol-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylate
CID 19392172
ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate
CID 19142197
6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid
CID 168879393
2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide
CID 107550765
N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 174355337
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
2-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethyl]ethanamine
CID 11676127
ethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)acetyl]amino]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)acetate
CID 11532532

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate (CID 58654382) is ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate is CCOC(=O)C1CCN(C)C1c1cc(C)nc(-n2ccnc2)n1.
What is the InChIKey of ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate?
The InChIKey is VCKWJXKMVPQVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-23-15(22)12-5-7-20(3)14(12)13-9-11(2)18-16(19-13)21-8-6-17-10-21/h6,8-10,12,14H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate?
ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate has a molecular weight of 315.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 58654382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).