6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride

C18H24ClN5O2S — CID 46189981

IUPAC6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
SMILESCNc1nn2c(C)c(CCCN)c(C)nc2c1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-12-15(10-7-11-19)13(2)23-18(21-12)16(17(20-3)22-23)26(24,25)14-8-5-4-6-9-14;/h4-6,8-9H,7,10-11,19H2,1-3H3,(H,20,22);1H
InChIKeyRAYGHYKSWWLZQV-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.53
Rot. Bonds6

About 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride

6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride (PubChem CID 46189981) has the molecular formula C18H24ClN5O2S and a molecular weight of 409.94 g/mol. Its IUPAC name is 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
PubChem CID46189981
Molecular FormulaC18H24ClN5O2S
Molecular Weight409.94 g/mol
Exact Mass409.13
IUPAC Name6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
SMILESCNc1nn2c(C)c(CCCN)c(C)nc2c1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-12-15(10-7-11-19)13(2)23-18(21-12)16(17(20-3)22-23)26(24,25)14-8-5-4-6-9-14;/h4-6,8-9H,7,10-11,19H2,1-3H3,(H,20,22);1H
InChIKeyRAYGHYKSWWLZQV-UHFFFAOYSA-N
XLogP2.53
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-N,5,7-trimethyl-6-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 130451656
3-(benzenesulfonyl)-6-[(dimethylamino)methyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46190033
6-(2-aminoethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189990
3-(benzenesulfonyl)-2-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-2,6-diamine;hydrochloride
CID 46189931
6-(aminomethyl)-3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride
CID 46189986
6-(aminomethyl)-3-(3-chlorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 46189984
3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 44516817
2-[3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylethanamine;hydrochloride
CID 123432737
3-(benzenesulfonyl)-7-(methoxymethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 52918031
3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326176
3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-amine;hydrochloride
CID 123208146
3-(benzenesulfonyl)-7-[2-(dimethylamino)ethyl]-2-N,6-N-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2,6-diamine
CID 142758108

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride (CID 46189981) is 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride is CNc1nn2c(C)c(CCCN)c(C)nc2c1S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride?
The InChIKey is RAYGHYKSWWLZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.ClH/c1-12-15(10-7-11-19)13(2)23-18(21-12)16(17(20-3)22-23)26(24,25)14-8-5-4-6-9-14;/h4-6,8-9H,7,10-11,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride?
6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 46189981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).