4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine

C12H13N7O — CID 68774809

IUPAC4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cnn(C)c3)nc12
InChIInChI=1S/C12H13N7O/c1-3-20-11-9-10(17-12(13)18-11)14-5-8(16-9)7-4-15-19(2)6-7/h4-6H,3H2,1-2H3,(H2,13,14,17,18)
InChIKeyMRGPXJWFLUKZSH-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.80
Rot. Bonds3

About 4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine

4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine (PubChem CID 68774809) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine
PubChem CID68774809
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cnn(C)c3)nc12
InChIInChI=1S/C12H13N7O/c1-3-20-11-9-10(17-12(13)18-11)14-5-8(16-9)7-4-15-19(2)6-7/h4-6H,3H2,1-2H3,(H2,13,14,17,18)
InChIKeyMRGPXJWFLUKZSH-UHFFFAOYSA-N
XLogP0.80
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.80
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-methylpyrazol-4-yl)pteridin-2-amine?
The IUPAC name of 4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine (CID 68774809) is 4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine is CCOc1nc(N)nc2ncc(-c3cnn(C)c3)nc12.
What is the InChIKey of 4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine?
The InChIKey is MRGPXJWFLUKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-3-20-11-9-10(17-12(13)18-11)14-5-8(16-9)7-4-15-19(2)6-7/h4-6H,3H2,1-2H3,(H2,13,14,17,18).
What are the key properties of 4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine?
4-ethoxy-6-(1-methylpyrazol-4-yl)pteridin-2-amine has a molecular weight of 271.28 g/mol, XLogP of 0.80, 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-methylpyrazol-4-yl)pteridin-2-amine is sourced from PubChem (CID 68774809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).