3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine

C6H4Cl2N4O — CID 154606700

IUPAC3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1nc(Cl)nc2c(Cl)[nH]nc12
InChIInChI=1S/C6H4Cl2N4O/c1-13-5-3-2(4(7)12-11-3)9-6(8)10-5/h1H3,(H,11,12)
InChIKeyGGTHFXYPIUTINQ-UHFFFAOYSA-N
MW219.03 g/mol
LogP1.67
Rot. Bonds1

About 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine

3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 154606700) has the molecular formula C6H4Cl2N4O and a molecular weight of 219.03 g/mol. Its IUPAC name is 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID154606700
Molecular FormulaC6H4Cl2N4O
Molecular Weight219.03 g/mol
Exact Mass217.98
IUPAC Name3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1nc(Cl)nc2c(Cl)[nH]nc12
InChIInChI=1S/C6H4Cl2N4O/c1-13-5-3-2(4(7)12-11-3)9-6(8)10-5/h1H3,(H,11,12)
InChIKeyGGTHFXYPIUTINQ-UHFFFAOYSA-N
XLogP1.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
CID 154606929
3-Bromo-7-methoxy pyrazolo[4,3-d]pyrimidine
CID 615519
5-ethynyl-3-methoxy-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 117711111
5-chloro-7-methoxy-1H-pyrazolo[4,5-d]pyrimidine
CID 154606690
4-Chloro-7-methoxy-1-methylimidazo[4,5-d]pyridazine
CID 156178097
4-Chloro-7-methoxy-3-methylimidazo[4,5-d]pyridazine
CID 156179233
5,7-Dichloro-1-(2-ethoxyethyl)-3-methoxypyrazolo[4,5-d]pyrimidine
CID 174483205
2-butyl-4-chloro-7-propan-2-yloxy-1H-imidazo[4,5-d]pyridazine
CID 176223144
5-chloro-3-iodo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
CID 178646023
2-[(3,5-Dichloro-7-methoxypyrazolo[4,5-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 178646239
7-Chloro-4-ethoxy-1H-imidazo[4,5-d]pyridazine
CID 21816608
3-bromo-7-methoxy-5-methyl-2H-pyrazolo[4,3-d]pyrimidine
CID 83899530

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine (CID 154606700) is 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine is COc1nc(Cl)nc2c(Cl)[nH]nc12.
What is the InChIKey of 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is GGTHFXYPIUTINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4O/c1-13-5-3-2(4(7)12-11-3)9-6(8)10-5/h1H3,(H,11,12).
What are the key properties of 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 219.03 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 154606700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).