2-ethyl-4-propan-2-ylpteridine

C11H14N4 — CID 147616756

IUPAC2-ethyl-4-propan-2-ylpteridine
SMILESCCc1nc(C(C)C)c2nccnc2n1
InChIInChI=1S/C11H14N4/c1-4-8-14-9(7(2)3)10-11(15-8)13-6-5-12-10/h5-7H,4H2,1-3H3
InChIKeyGDBQTNNLCSTUFE-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.11
Rot. Bonds2

About 2-ethyl-4-propan-2-ylpteridine

2-ethyl-4-propan-2-ylpteridine (PubChem CID 147616756) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-ylpteridine.

Molecular Properties

Compound Name2-ethyl-4-propan-2-ylpteridine
PubChem CID147616756
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-ethyl-4-propan-2-ylpteridine
SMILESCCc1nc(C(C)C)c2nccnc2n1
InChIInChI=1S/C11H14N4/c1-4-8-14-9(7(2)3)10-11(15-8)13-6-5-12-10/h5-7H,4H2,1-3H3
InChIKeyGDBQTNNLCSTUFE-UHFFFAOYSA-N
XLogP2.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-ylpteridine?
The IUPAC name of 2-ethyl-4-propan-2-ylpteridine (CID 147616756) is 2-ethyl-4-propan-2-ylpteridine.
What is the SMILES notation for 2-ethyl-4-propan-2-ylpteridine?
The canonical SMILES for 2-ethyl-4-propan-2-ylpteridine is CCc1nc(C(C)C)c2nccnc2n1.
What is the InChIKey of 2-ethyl-4-propan-2-ylpteridine?
The InChIKey is GDBQTNNLCSTUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-4-8-14-9(7(2)3)10-11(15-8)13-6-5-12-10/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-ylpteridine?
2-ethyl-4-propan-2-ylpteridine has a molecular weight of 202.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-ylpteridine is sourced from PubChem (CID 147616756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).