4,6,7-trimethylpteridin-2-amine

C9H11N5 — CID 23422109

IUPAC4,6,7-trimethylpteridin-2-amine
SMILESCc1nc2nc(N)nc(C)c2nc1C
InChIInChI=1S/C9H11N5/c1-4-5(2)12-8-7(11-4)6(3)13-9(10)14-8/h1-3H3,(H2,10,12,13,14)
InChIKeyPIKGILGQDLQKPD-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.93
Rot. Bonds

About 4,6,7-trimethylpteridin-2-amine

4,6,7-trimethylpteridin-2-amine (PubChem CID 23422109) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4,6,7-trimethylpteridin-2-amine.

Molecular Properties

Compound Name4,6,7-trimethylpteridin-2-amine
PubChem CID23422109
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4,6,7-trimethylpteridin-2-amine
SMILESCc1nc2nc(N)nc(C)c2nc1C
InChIInChI=1S/C9H11N5/c1-4-5(2)12-8-7(11-4)6(3)13-9(10)14-8/h1-3H3,(H2,10,12,13,14)
InChIKeyPIKGILGQDLQKPD-UHFFFAOYSA-N
XLogP0.93
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethylpteridin-2-amine?
The IUPAC name of 4,6,7-trimethylpteridin-2-amine (CID 23422109) is 4,6,7-trimethylpteridin-2-amine.
What is the SMILES notation for 4,6,7-trimethylpteridin-2-amine?
The canonical SMILES for 4,6,7-trimethylpteridin-2-amine is Cc1nc2nc(N)nc(C)c2nc1C.
What is the InChIKey of 4,6,7-trimethylpteridin-2-amine?
The InChIKey is PIKGILGQDLQKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-4-5(2)12-8-7(11-4)6(3)13-9(10)14-8/h1-3H3,(H2,10,12,13,14).
What are the key properties of 4,6,7-trimethylpteridin-2-amine?
4,6,7-trimethylpteridin-2-amine has a molecular weight of 189.22 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethylpteridin-2-amine is sourced from PubChem (CID 23422109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).