tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate

C13H20N4O2 — CID 71301820

IUPACtert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Nc2ncccn2)C1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-5-10(9-17)16-11-14-6-4-7-15-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,15,16)/t10-/m0/s1
InChIKeyACTDYKTUOFPSCD-JTQLQIEISA-N
MW264.33 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate

tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate (PubChem CID 71301820) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
PubChem CID71301820
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Nc2ncccn2)C1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-5-10(9-17)16-11-14-6-4-7-15-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,15,16)/t10-/m0/s1
InChIKeyACTDYKTUOFPSCD-JTQLQIEISA-N
XLogP1.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl (3S)-3-[(4-chloropyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71629236
tert-butyl 3-[(4-cyclopentyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 151604611
tert-butyl 3-[(1-methylimidazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 177305921
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
tert-butyl (3S)-3-(quinolin-5-ylamino)pyrrolidine-1-carboxylate
CID 156685077
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
tert-butyl 3-[(4-amino-5-carbamoylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 118043224
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
tert-butyl 3-[[5-chloro-4-(dimethylamino)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 175105607
tert-butyl 3-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 175226437

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate (CID 71301820) is tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](Nc2ncccn2)C1.
What is the InChIKey of tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate?
The InChIKey is ACTDYKTUOFPSCD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-5-10(9-17)16-11-14-6-4-7-15-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71301820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).