(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide

C15H23N5O2 — CID 94125427

IUPAC(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NCCNc2ncccn2)CC1=O
InChIInChI=1S/C15H23N5O2/c1-11(2)9-20-10-12(8-13(20)21)14(22)16-6-7-19-15-17-4-3-5-18-15/h3-5,11-12H,6-10H2,1-2H3,(H,16,22)(H,17,18,19)/t12-/m0/s1
InChIKeyRFMXPNHESMMEEB-LBPRGKRZSA-N
MW305.38 g/mol
LogP0.51
Rot. Bonds7

About (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide

(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 94125427) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID94125427
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NCCNc2ncccn2)CC1=O
InChIInChI=1S/C15H23N5O2/c1-11(2)9-20-10-12(8-13(20)21)14(22)16-6-7-19-15-17-4-3-5-18-15/h3-5,11-12H,6-10H2,1-2H3,(H,16,22)(H,17,18,19)/t12-/m0/s1
InChIKeyRFMXPNHESMMEEB-LBPRGKRZSA-N
XLogP0.51
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide 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

N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
1-(2-methylpropyl)-5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 47025566
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(3R)-1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125463
6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43352899
(3R)-N-[2-[ethyl(methyl)amino]ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127297
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636
N-(3-hydroxy-4-methoxybutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103877477
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 51940146
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 36999930

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 94125427) is (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is CC(C)CN1C[C@@H](C(=O)NCCNc2ncccn2)CC1=O.
What is the InChIKey of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RFMXPNHESMMEEB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(2)9-20-10-12(8-13(20)21)14(22)16-6-7-19-15-17-4-3-5-18-15/h3-5,11-12H,6-10H2,1-2H3,(H,16,22)(H,17,18,19)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94125427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).