3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C14H14N4O2 — CID 141199628

IUPAC3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2cnn3ccc(N)nc23)cc1OC
InChIInChI=1S/C14H14N4O2/c1-19-11-4-3-9(7-12(11)20-2)10-8-16-18-6-5-13(15)17-14(10)18/h3-8H,1-2H3,(H2,15,17)
InChIKeyOKXSQJDZABVLRY-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.00
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 141199628) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID141199628
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2cnn3ccc(N)nc23)cc1OC
InChIInChI=1S/C14H14N4O2/c1-19-11-4-3-9(7-12(11)20-2)10-8-16-18-6-5-13(15)17-14(10)18/h3-8H,1-2H3,(H2,15,17)
InChIKeyOKXSQJDZABVLRY-UHFFFAOYSA-N
XLogP2.00
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 141199628) is 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2cnn3ccc(N)nc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is OKXSQJDZABVLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-11-4-3-9(7-12(11)20-2)10-8-16-18-6-5-13(15)17-14(10)18/h3-8H,1-2H3,(H2,15,17).
What are the key properties of 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 270.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 141199628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).