3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

C21H27N5O — CID 126475082

IUPAC3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2cnn3c(NCCCN4CCOCC4)ccnc23)cc1C
InChIInChI=1S/C21H27N5O/c1-16-4-5-18(14-17(16)2)19-15-24-26-20(6-8-23-21(19)26)22-7-3-9-25-10-12-27-13-11-25/h4-6,8,14-15,22H,3,7,9-13H2,1-2H3
InChIKeyFIYWEPCRYQFRCY-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.15
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126475082) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126475082
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(-c2cnn3c(NCCCN4CCOCC4)ccnc23)cc1C
InChIInChI=1S/C21H27N5O/c1-16-4-5-18(14-17(16)2)19-15-24-26-20(6-8-23-21(19)26)22-7-3-9-25-10-12-27-13-11-25/h4-6,8,14-15,22H,3,7,9-13H2,1-2H3
InChIKeyFIYWEPCRYQFRCY-UHFFFAOYSA-N
XLogP3.15
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.15
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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Related Compounds

N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126472969
N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473906
3-(3,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine
CID 144626308
3-(3,4-dimethylphenyl)-5-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 137396507
N-(2-morpholin-4-ylethyl)-4-[7-(2-thiophen-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 169196849
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
3-(3,4-dimethylphenyl)-5-N-methyl-7-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 137396375
3-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-phenoxypyrazolo[1,5-a]pyrimidin-7-amine
CID 137396251
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 92606419
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126475082) is 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(-c2cnn3c(NCCCN4CCOCC4)ccnc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FIYWEPCRYQFRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-4-5-18(14-17(16)2)19-15-24-26-20(6-8-23-21(19)26)22-7-3-9-25-10-12-27-13-11-25/h4-6,8,14-15,22H,3,7,9-13H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126475082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).