4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine

C14H17N7O — CID 24795043

IUPAC4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3c(C)nn(C)c3C)nc12
InChIInChI=1S/C14H17N7O/c1-5-22-13-11-12(18-14(15)19-13)16-6-9(17-11)10-7(2)20-21(4)8(10)3/h6H,5H2,1-4H3,(H2,15,16,18,19)
InChIKeyBPXYJMUKHOTXBH-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.42
Rot. Bonds3

About 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine

4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine (PubChem CID 24795043) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine
PubChem CID24795043
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3c(C)nn(C)c3C)nc12
InChIInChI=1S/C14H17N7O/c1-5-22-13-11-12(18-14(15)19-13)16-6-9(17-11)10-7(2)20-21(4)8(10)3/h6H,5H2,1-4H3,(H2,15,16,18,19)
InChIKeyBPXYJMUKHOTXBH-UHFFFAOYSA-N
XLogP1.42
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine?
The IUPAC name of 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine (CID 24795043) is 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine is CCOc1nc(N)nc2ncc(-c3c(C)nn(C)c3C)nc12.
What is the InChIKey of 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine?
The InChIKey is BPXYJMUKHOTXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-5-22-13-11-12(18-14(15)19-13)16-6-9(17-11)10-7(2)20-21(4)8(10)3/h6H,5H2,1-4H3,(H2,15,16,18,19).
What are the key properties of 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine?
4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine has a molecular weight of 299.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(1,3,5-trimethylpyrazol-4-yl)pteridin-2-amine is sourced from PubChem (CID 24795043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).