N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H22N4O — CID 4905434

IUPACN-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(C)nc2c(-c3ccc(C)cc3)c(C)nn12
InChIInChI=1S/C18H22N4O/c1-12-5-7-15(8-6-12)17-14(3)21-22-16(19-9-10-23-4)11-13(2)20-18(17)22/h5-8,11,19H,9-10H2,1-4H3
InChIKeyBAPXUNYVQAGNCB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.38
Rot. Bonds5

About N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4905434) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4905434
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(C)nc2c(-c3ccc(C)cc3)c(C)nn12
InChIInChI=1S/C18H22N4O/c1-12-5-7-15(8-6-12)17-14(3)21-22-16(19-9-10-23-4)11-13(2)20-18(17)22/h5-8,11,19H,9-10H2,1-4H3
InChIKeyBAPXUNYVQAGNCB-UHFFFAOYSA-N
XLogP3.38
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 4905434) is N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCCNc1cc(C)nc2c(-c3ccc(C)cc3)c(C)nn12.
What is the InChIKey of N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BAPXUNYVQAGNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-5-7-15(8-6-12)17-14(3)21-22-16(19-9-10-23-4)11-13(2)20-18(17)22/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 310.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4905434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).