3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C15H16ClN5O2S — CID 59812840

IUPAC3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(S(C)(=O)=O)nc2n[nH]c(-c3ccccc3Cl)c12
InChIInChI=1S/C15H16ClN5O2S/c1-3-8-17-13-11-12(9-6-4-5-7-10(9)16)20-21-14(11)19-15(18-13)24(2,22)23/h4-7H,3,8H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyOSRCVIRKXUIOMA-UHFFFAOYSA-N
MW365.85 g/mol
LogP2.90
Rot. Bonds5

About 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59812840) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59812840
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC Name3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(S(C)(=O)=O)nc2n[nH]c(-c3ccccc3Cl)c12
InChIInChI=1S/C15H16ClN5O2S/c1-3-8-17-13-11-12(9-6-4-5-7-10(9)16)20-21-14(11)19-15(18-13)24(2,22)23/h4-7H,3,8H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyOSRCVIRKXUIOMA-UHFFFAOYSA-N
XLogP2.90
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 59812840) is 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1nc(S(C)(=O)=O)nc2n[nH]c(-c3ccccc3Cl)c12.
What is the InChIKey of 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OSRCVIRKXUIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c1-3-8-17-13-11-12(9-6-4-5-7-10(9)16)20-21-14(11)19-15(18-13)24(2,22)23/h4-7H,3,8H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.85 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59812840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).