(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide

C15H22N4O2 — CID 97314578

IUPAC(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H22N4O2/c1-10(20)19-7-5-6-12(19)13(21)18-11-8-16-14(17-9-11)15(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyGTKIFSOTHZCYBL-LBPRGKRZSA-N
MW290.37 g/mol
LogP1.72
Rot. Bonds2

About (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 97314578) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
PubChem CID97314578
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H22N4O2/c1-10(20)19-7-5-6-12(19)13(21)18-11-8-16-14(17-9-11)15(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyGTKIFSOTHZCYBL-LBPRGKRZSA-N
XLogP1.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
1-acetyl-N-[4-[5-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 76815353
tert-butyl (2S)-2-[[5-[2-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]ethynyl]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59266651
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 86929912
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71878974
3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea
CID 97218500
tert-butyl (2S)-2-[(5-bromo-3-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 155715861
9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 47184320

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide (CID 97314578) is (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is GTKIFSOTHZCYBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(20)19-7-5-6-12(19)13(21)18-11-8-16-14(17-9-11)15(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97314578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).