4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine

C13H18N4 — CID 67263065

IUPAC4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine
SMILESC=CCNc1ncncc1N(CC=C)CC=C
InChIInChI=1S/C13H18N4/c1-4-7-15-13-12(10-14-11-16-13)17(8-5-2)9-6-3/h4-6,10-11H,1-3,7-9H2,(H,14,15,16)
InChIKeyLPOPBEFQIJMTEN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds8

About 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine

4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine (PubChem CID 67263065) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine
PubChem CID67263065
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine
SMILESC=CCNc1ncncc1N(CC=C)CC=C
InChIInChI=1S/C13H18N4/c1-4-7-15-13-12(10-14-11-16-13)17(8-5-2)9-6-3/h4-6,10-11H,1-3,7-9H2,(H,14,15,16)
InChIKeyLPOPBEFQIJMTEN-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine (CID 67263065) is 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine is C=CCNc1ncncc1N(CC=C)CC=C.
What is the InChIKey of 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine?
The InChIKey is LPOPBEFQIJMTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-7-15-13-12(10-14-11-16-13)17(8-5-2)9-6-3/h4-6,10-11H,1-3,7-9H2,(H,14,15,16).
What are the key properties of 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine?
4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 67263065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).