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

C18H22N4O2 — CID 3355848

IUPACN-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12
InChIInChI=1S/C18H22N4O2/c1-12-11-16(19-9-10-23-3)22-18(20-12)17(13(2)21-22)14-7-5-6-8-15(14)24-4/h5-8,11,19H,9-10H2,1-4H3
InChIKeyBPMVXIGARXCBKS-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.08
Rot. Bonds6

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

N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3355848) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3355848
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12
InChIInChI=1S/C18H22N4O2/c1-12-11-16(19-9-10-23-3)22-18(20-12)17(13(2)21-22)14-7-5-6-8-15(14)24-4/h5-8,11,19H,9-10H2,1-4H3
InChIKeyBPMVXIGARXCBKS-UHFFFAOYSA-N
XLogP3.08
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3355848) is N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is COCCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BPMVXIGARXCBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-11-16(19-9-10-23-3)22-18(20-12)17(13(2)21-22)14-7-5-6-8-15(14)24-4/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 326.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3355848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).