2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine

C13H20N4O — CID 82456267

IUPAC2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
SMILESC=CCNc1nc(C2CC2)nc(OCCC)c1N
InChIInChI=1S/C13H20N4O/c1-3-7-15-12-10(14)13(18-8-4-2)17-11(16-12)9-5-6-9/h3,9H,1,4-8,14H2,2H3,(H,15,16,17)
InChIKeyBAUPNBRBPUWIQB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.32
Rot. Bonds7

About 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine

2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine (PubChem CID 82456267) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
PubChem CID82456267
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
SMILESC=CCNc1nc(C2CC2)nc(OCCC)c1N
InChIInChI=1S/C13H20N4O/c1-3-7-15-12-10(14)13(18-8-4-2)17-11(16-12)9-5-6-9/h3,9H,1,4-8,14H2,2H3,(H,15,16,17)
InChIKeyBAUPNBRBPUWIQB-UHFFFAOYSA-N
XLogP2.32
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine 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-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine (CID 82456267) is 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine is C=CCNc1nc(C2CC2)nc(OCCC)c1N.
What is the InChIKey of 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine?
The InChIKey is BAUPNBRBPUWIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-7-15-12-10(14)13(18-8-4-2)17-11(16-12)9-5-6-9/h3,9H,1,4-8,14H2,2H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine?
2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine has a molecular weight of 248.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82456267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).