3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

C17H20N6S — CID 142946996

IUPAC3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCN(C)Sc1ccc(Nc2cc(N)nc3c(C4CC4)cnn23)cc1
InChIInChI=1S/C17H20N6S/c1-22(2)24-13-7-5-12(6-8-13)20-16-9-15(18)21-17-14(11-3-4-11)10-19-23(16)17/h5-11,20H,3-4H2,1-2H3,(H2,18,21)
InChIKeyJQFHITHKZGWFGJ-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.50
Rot. Bonds5

About 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 142946996) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID142946996
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCN(C)Sc1ccc(Nc2cc(N)nc3c(C4CC4)cnn23)cc1
InChIInChI=1S/C17H20N6S/c1-22(2)24-13-7-5-12(6-8-13)20-16-9-15(18)21-17-14(11-3-4-11)10-19-23(16)17/h5-11,20H,3-4H2,1-2H3,(H2,18,21)
InChIKeyJQFHITHKZGWFGJ-UHFFFAOYSA-N
XLogP3.50
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide
CID 142946934
1-cyclohexylpropan-1-amine;N-[4-(dimethylaminosulfanyl)phenyl]-3-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142946937
3-cyclobutyl-7-N-(3-fluorophenyl)-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155693877
4-[[5-[(4-aminocyclohexyl)amino]-3-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58938326
3-[(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5-fluorobenzonitrile
CID 155104328
[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl] hypofluorite;piperidine
CID 177341055
3-cyclobutyl-7-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155121780
3-[[3-cyclopropyl-5-[(1-hydroxypiperidin-4-yl)methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzonitrile
CID 155104170
5-(1-cyclopentylethyl)-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 170417167
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 58938394
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155104155
3-[[3-cyclopropyl-5-[(3-hydroxypiperidin-4-yl)methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-5-methylbenzonitrile
CID 155104291

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 142946996) is 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is CN(C)Sc1ccc(Nc2cc(N)nc3c(C4CC4)cnn23)cc1.
What is the InChIKey of 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is JQFHITHKZGWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-22(2)24-13-7-5-12(6-8-13)20-16-9-15(18)21-17-14(11-3-4-11)10-19-23(16)17/h5-11,20H,3-4H2,1-2H3,(H2,18,21).
What are the key properties of 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?
3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 340.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 142946996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).