2-pyrrolidin-1-ylpyrimidine-5-carboximidamide

C9H13N5 — CID 83877819

IUPAC2-pyrrolidin-1-ylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H13N5/c10-8(11)7-5-12-9(13-6-7)14-3-1-2-4-14/h5-6H,1-4H2,(H3,10,11)
InChIKeyZLQIYQDVPPOFNW-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.36
Rot. Bonds2

About 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide

2-pyrrolidin-1-ylpyrimidine-5-carboximidamide (PubChem CID 83877819) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyrimidine-5-carboximidamide
PubChem CID83877819
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-pyrrolidin-1-ylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H13N5/c10-8(11)7-5-12-9(13-6-7)14-3-1-2-4-14/h5-6H,1-4H2,(H3,10,11)
InChIKeyZLQIYQDVPPOFNW-UHFFFAOYSA-N
XLogP0.36
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide 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 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide?
The IUPAC name of 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide (CID 83877819) is 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide.
What is the SMILES notation for 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide?
The canonical SMILES for 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide is [H]/N=C(\N)c1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide?
The InChIKey is ZLQIYQDVPPOFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c10-8(11)7-5-12-9(13-6-7)14-3-1-2-4-14/h5-6H,1-4H2,(H3,10,11).
What are the key properties of 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide?
2-pyrrolidin-1-ylpyrimidine-5-carboximidamide has a molecular weight of 191.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpyrimidine-5-carboximidamide is sourced from PubChem (CID 83877819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).