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

C15H23N5O2 — CID 51081162

IUPAC1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(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)
InChIKeyRFMXPNHESMMEEB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.51
Rot. Bonds7

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

1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 51081162) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID51081162
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(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)
InChIKeyRFMXPNHESMMEEB-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 51081162) is 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCCNc2ncccn2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RFMXPNHESMMEEB-UHFFFAOYSA-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).
What are the key properties of 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
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 1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51081162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).