1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C9H13N5O — CID 166885075

IUPAC1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCn1nc(C)c2c(N)ncnc21
InChIInChI=1S/C9H13N5O/c1-6-7-8(10)11-5-12-9(7)14(13-6)3-4-15-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyURSHYILAKAEFLX-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.36
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 166885075) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID166885075
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCn1nc(C)c2c(N)ncnc21
InChIInChI=1S/C9H13N5O/c1-6-7-8(10)11-5-12-9(7)14(13-6)3-4-15-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyURSHYILAKAEFLX-UHFFFAOYSA-N
XLogP0.36
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 166885075) is 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is COCCn1nc(C)c2c(N)ncnc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is URSHYILAKAEFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-7-8(10)11-5-12-9(7)14(13-6)3-4-15-2/h5H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 207.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166885075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).