N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide

C11H17N5O — CID 51084904

IUPACN-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCCC1
InChIInChI=1S/C11H17N5O/c17-11(16-8-1-2-9-16)15-7-6-14-10-12-4-3-5-13-10/h3-5H,1-2,6-9H2,(H,15,17)(H,12,13,14)
InChIKeyWKHSGFKPFXJLKP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.69
Rot. Bonds4

About N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide

N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide (PubChem CID 51084904) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
PubChem CID51084904
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCCC1
InChIInChI=1S/C11H17N5O/c17-11(16-8-1-2-9-16)15-7-6-14-10-12-4-3-5-13-10/h3-5H,1-2,6-9H2,(H,15,17)(H,12,13,14)
InChIKeyWKHSGFKPFXJLKP-UHFFFAOYSA-N
XLogP0.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide (CID 51084904) is N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide is O=C(NCCNc1ncccn1)N1CCCC1.
What is the InChIKey of N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is WKHSGFKPFXJLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c17-11(16-8-1-2-9-16)15-7-6-14-10-12-4-3-5-13-10/h3-5H,1-2,6-9H2,(H,15,17)(H,12,13,14).
What are the key properties of N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide?
N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51084904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).