3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C19H24N4O3 — CID 59777421

IUPAC3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C19H24N4O3/c1-12-10-17(20-8-9-24-3)23-19(21-12)18(13(2)22-23)15-7-6-14(25-4)11-16(15)26-5/h6-7,10-11,20H,8-9H2,1-5H3
InChIKeyIIYMTOAISJZMSU-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.09
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 59777421) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID59777421
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12
InChIInChI=1S/C19H24N4O3/c1-12-10-17(20-8-9-24-3)23-19(21-12)18(13(2)22-23)15-7-6-14(25-4)11-16(15)26-5/h6-7,10-11,20H,8-9H2,1-5H3
InChIKeyIIYMTOAISJZMSU-UHFFFAOYSA-N
XLogP3.09
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 59777421) is 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is COCCNc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IIYMTOAISJZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-10-17(20-8-9-24-3)23-19(21-12)18(13(2)22-23)15-7-6-14(25-4)11-16(15)26-5/h6-7,10-11,20H,8-9H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 356.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 59777421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).