N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

C17H26N6O2 — CID 133116687

IUPACN-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC(C)[C@@H]1CN(c2ccnc(N)n2)C[C@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C17H26N6O2/c1-11(2)12-8-23(14-5-6-19-17(18)21-14)9-13(12)20-15(24)10-22-7-3-4-16(22)25/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,20,24)(H2,18,19,21)/t12-,13+/m0/s1
InChIKeyYARNVRVZZMMMRJ-QWHCGFSZSA-N
MW346.44 g/mol
LogP0.26
Rot. Bonds5

About N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 133116687) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID133116687
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC(C)[C@@H]1CN(c2ccnc(N)n2)C[C@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C17H26N6O2/c1-11(2)12-8-23(14-5-6-19-17(18)21-14)9-13(12)20-15(24)10-22-7-3-4-16(22)25/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,20,24)(H2,18,19,21)/t12-,13+/m0/s1
InChIKeyYARNVRVZZMMMRJ-QWHCGFSZSA-N
XLogP0.26
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide
CID 133132152
2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 156605526
2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133110398
2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
CID 72901641
N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide
CID 133133456
N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 154899182
2-acetamido-N-[(3R,4S)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-2-methylpropanamide
CID 72923002
6-[(3S,4R)-3-propan-2-yl-4-[(2-propoxyacetyl)amino]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 72847922
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
benzyl N-[(3S,4S)-1-(2-aminopyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]carbamate
CID 178108142
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 133116687) is N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is CC(C)[C@@H]1CN(c2ccnc(N)n2)C[C@H]1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is YARNVRVZZMMMRJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(2)12-8-23(14-5-6-19-17(18)21-14)9-13(12)20-15(24)10-22-7-3-4-16(22)25/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,20,24)(H2,18,19,21)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propan-2-ylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 133116687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).