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

C15H21N5O2 — CID 51081163

IUPAC1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNc1ncccn1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H21N5O2/c21-13-8-12(10-20(13)9-11-2-3-11)14(22)16-6-7-19-15-17-4-1-5-18-15/h1,4-5,11-12H,2-3,6-10H2,(H,16,22)(H,17,18,19)
InChIKeyHKNLWEXNYPKESB-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.26
Rot. Bonds7

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

1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 51081163) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID51081163
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNc1ncccn1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H21N5O2/c21-13-8-12(10-20(13)9-11-2-3-11)14(22)16-6-7-19-15-17-4-1-5-18-15/h1,4-5,11-12H,2-3,6-10H2,(H,16,22)(H,17,18,19)
InChIKeyHKNLWEXNYPKESB-UHFFFAOYSA-N
XLogP0.26
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 51081163) is 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is O=C(NCCNc1ncccn1)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is HKNLWEXNYPKESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-13-8-12(10-20(13)9-11-2-3-11)14(22)16-6-7-19-15-17-4-1-5-18-15/h1,4-5,11-12H,2-3,6-10H2,(H,16,22)(H,17,18,19).
What are the key properties of 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51081163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).