tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate

C16H25N3O2 — CID 135135282

IUPACtert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate
SMILESCc1cnc(C)c(CC2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H25N3O2/c1-11-9-17-12(2)14(18-11)8-13-6-7-19(10-13)15(20)21-16(3,4)5/h9,13H,6-8,10H2,1-5H3
InChIKeyKXFZUZLKQKQNLS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 135135282) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID135135282
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate
SMILESCc1cnc(C)c(CC2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H25N3O2/c1-11-9-17-12(2)14(18-11)8-13-6-7-19(10-13)15(20)21-16(3,4)5/h9,13H,6-8,10H2,1-5H3
InChIKeyKXFZUZLKQKQNLS-UHFFFAOYSA-N
XLogP2.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(5,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 159206233
tert-butyl (3S)-3-[(5-chloro-4-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 157407419
tert-butyl (3S)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;sulfane
CID 157158385
methyl 2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxylate
CID 170950850
tert-butyl (3R)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176279
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 24902735
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl (3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 146286115
tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate
CID 124996322
tert-butyl (3S)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate
CID 124996323
tert-butyl (3S)-3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-1-carboxylate;sulfane
CID 158628843

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate (CID 135135282) is tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate is Cc1cnc(C)c(CC2CCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is KXFZUZLKQKQNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-9-17-12(2)14(18-11)8-13-6-7-19(10-13)15(20)21-16(3,4)5/h9,13H,6-8,10H2,1-5H3.
What are the key properties of tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 135135282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).