4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine

C7H12N6 — CID 69476045

IUPAC4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine
SMILESC=CCNc1nc(N)nc(N)c1N
InChIInChI=1S/C7H12N6/c1-2-3-11-6-4(8)5(9)12-7(10)13-6/h2H,1,3,8H2,(H5,9,10,11,12,13)
InChIKeyLWHWLGTVMCZOGS-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.18
Rot. Bonds3

About 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine

4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine (PubChem CID 69476045) has the molecular formula C7H12N6 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine.

Molecular Properties

Compound Name4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine
PubChem CID69476045
Molecular FormulaC7H12N6
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine
SMILESC=CCNc1nc(N)nc(N)c1N
InChIInChI=1S/C7H12N6/c1-2-3-11-6-4(8)5(9)12-7(10)13-6/h2H,1,3,8H2,(H5,9,10,11,12,13)
InChIKeyLWHWLGTVMCZOGS-UHFFFAOYSA-N
XLogP-0.18
TPSA115.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-prop-2-enylpyrimidine-2,4,5,6-tetramine?
The IUPAC name of 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine (CID 69476045) is 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine.
What is the SMILES notation for 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine?
The canonical SMILES for 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine is C=CCNc1nc(N)nc(N)c1N.
What is the InChIKey of 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine?
The InChIKey is LWHWLGTVMCZOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c1-2-3-11-6-4(8)5(9)12-7(10)13-6/h2H,1,3,8H2,(H5,9,10,11,12,13).
What are the key properties of 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine?
4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine has a molecular weight of 180.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine is sourced from PubChem (CID 69476045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).