tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate

C15H23N5O4 — CID 118543328

IUPACtert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESC=C1NC(=O)NC(C(=O)NC2CCN(C(=O)OC(C)(C)C)C2)=C1N
InChIInChI=1S/C15H23N5O4/c1-8-10(16)11(19-13(22)17-8)12(21)18-9-5-6-20(7-9)14(23)24-15(2,3)4/h9H,1,5-7,16H2,2-4H3,(H,18,21)(H2,17,19,22)
InChIKeyQTKQUAGLLDKZNM-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.11
Rot. Bonds2

About tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 118543328) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate
PubChem CID118543328
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Nametert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate
SMILESC=C1NC(=O)NC(C(=O)NC2CCN(C(=O)OC(C)(C)C)C2)=C1N
InChIInChI=1S/C15H23N5O4/c1-8-10(16)11(19-13(22)17-8)12(21)18-9-5-6-20(7-9)14(23)24-15(2,3)4/h9H,1,5-7,16H2,2-4H3,(H,18,21)(H2,17,19,22)
InChIKeyQTKQUAGLLDKZNM-UHFFFAOYSA-N
XLogP0.11
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate
CID 171505314
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
tert-butyl (3R)-3-[(N'-methylcarbamimidoyl)amino]pyrrolidine-1-carboxylate
CID 167022048
tert-butyl (3S)-3-(dimethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 129379096
tert-butyl (3R)-3-[(4-amino-2-fluorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 122598249
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
CID 71629640
tert-butyl 3-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 68737369
tert-butyl (3R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pyrrolidine-1-carboxylate
CID 71629432
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate (CID 118543328) is tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate is C=C1NC(=O)NC(C(=O)NC2CCN(C(=O)OC(C)(C)C)C2)=C1N.
What is the InChIKey of tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is QTKQUAGLLDKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-8-10(16)11(19-13(22)17-8)12(21)18-9-5-6-20(7-9)14(23)24-15(2,3)4/h9H,1,5-7,16H2,2-4H3,(H,18,21)(H2,17,19,22).
What are the key properties of tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 0.11, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 118543328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).