4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

C6H4Cl2N4 — CID 52987827

IUPAC4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1[nH]nc2nc(Cl)nc(Cl)c12
InChIInChI=1S/C6H4Cl2N4/c1-2-3-4(7)9-6(8)10-5(3)12-11-2/h1H3,(H,9,10,11,12)
InChIKeyWAVYWHRLGFPXMJ-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.97
Rot. Bonds

About 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 52987827) has the molecular formula C6H4Cl2N4 and a molecular weight of 203.03 g/mol. Its IUPAC name is 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID52987827
Molecular FormulaC6H4Cl2N4
Molecular Weight203.03 g/mol
Exact Mass201.98
IUPAC Name4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1[nH]nc2nc(Cl)nc(Cl)c12
InChIInChI=1S/C6H4Cl2N4/c1-2-3-4(7)9-6(8)10-5(3)12-11-2/h1H3,(H,9,10,11,12)
InChIKeyWAVYWHRLGFPXMJ-UHFFFAOYSA-N
XLogP1.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (CID 52987827) is 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is Cc1[nH]nc2nc(Cl)nc(Cl)c12.
What is the InChIKey of 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is WAVYWHRLGFPXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4/c1-2-3-4(7)9-6(8)10-5(3)12-11-2/h1H3,(H,9,10,11,12).
What are the key properties of 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 203.03 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 52987827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).