3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine

C18H24N6O2S — CID 56849580

IUPAC3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCNc1nn2c(NCCN(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N6O2S/c1-13-12-15(20-10-11-23(3)4)24-18(21-13)16(17(19-2)22-24)27(25,26)14-8-6-5-7-9-14/h5-9,12,20H,10-11H2,1-4H3,(H,19,22)
InChIKeyFHAIKHWOGVRZCX-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.89
Rot. Bonds7

About 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine

3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine (PubChem CID 56849580) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
PubChem CID56849580
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine
SMILESCNc1nn2c(NCCN(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N6O2S/c1-13-12-15(20-10-11-23(3)4)24-18(21-13)16(17(19-2)22-24)27(25,26)14-8-6-5-7-9-14/h5-9,12,20H,10-11H2,1-4H3,(H,19,22)
InChIKeyFHAIKHWOGVRZCX-UHFFFAOYSA-N
XLogP1.89
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The IUPAC name of 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine (CID 56849580) is 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine.
What is the SMILES notation for 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The canonical SMILES for 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine is CNc1nn2c(NCCN(C)C)cc(C)nc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
The InChIKey is FHAIKHWOGVRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-13-12-15(20-10-11-23(3)4)24-18(21-13)16(17(19-2)22-24)27(25,26)14-8-6-5-7-9-14/h5-9,12,20H,10-11H2,1-4H3,(H,19,22).
What are the key properties of 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine?
3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine has a molecular weight of 388.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-N-[2-(dimethylamino)ethyl]-2-N,5-dimethylpyrazolo[1,5-a]pyrimidine-2,7-diamine is sourced from PubChem (CID 56849580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).