4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine

C12H15N5 — CID 171383885

IUPAC4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine
SMILESC=CCNc1nc(C)c2nc(C)c(C)nc2n1
InChIInChI=1S/C12H15N5/c1-5-6-13-12-16-9(4)10-11(17-12)15-8(3)7(2)14-10/h5H,1,6H2,2-4H3,(H,13,15,16,17)
InChIKeyQTFWSECXGZLFQY-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.94
Rot. Bonds3

About 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine

4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine (PubChem CID 171383885) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine.

Molecular Properties

Compound Name4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine
PubChem CID171383885
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine
SMILESC=CCNc1nc(C)c2nc(C)c(C)nc2n1
InChIInChI=1S/C12H15N5/c1-5-6-13-12-16-9(4)10-11(17-12)15-8(3)7(2)14-10/h5H,1,6H2,2-4H3,(H,13,15,16,17)
InChIKeyQTFWSECXGZLFQY-UHFFFAOYSA-N
XLogP1.94
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine 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 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine?
The IUPAC name of 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine (CID 171383885) is 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine.
What is the SMILES notation for 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine?
The canonical SMILES for 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine is C=CCNc1nc(C)c2nc(C)c(C)nc2n1.
What is the InChIKey of 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine?
The InChIKey is QTFWSECXGZLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-5-6-13-12-16-9(4)10-11(17-12)15-8(3)7(2)14-10/h5H,1,6H2,2-4H3,(H,13,15,16,17).
What are the key properties of 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine?
4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-N-prop-2-enylpteridin-2-amine is sourced from PubChem (CID 171383885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).