4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine

C5H2Cl2N4 — CID 12066449

IUPAC4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine
SMILESClc1nc(Cl)c2cn[nH]c2n1
InChIInChI=1S/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11)
InChIKeyCTYPROOLWJDUTA-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.66
Rot. Bonds

About 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine

4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 12066449) has the molecular formula C5H2Cl2N4 and a molecular weight of 189.01 g/mol. Its IUPAC name is 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID12066449
Molecular FormulaC5H2Cl2N4
Molecular Weight189.01 g/mol
Exact Mass187.97
IUPAC Name4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine
SMILESClc1nc(Cl)c2cn[nH]c2n1
InChIInChI=1S/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11)
InChIKeyCTYPROOLWJDUTA-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 221095
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086
4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223696
4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 219751
4-Hydrazinyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 219785
4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11789625
6-Chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220780
N-ethyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 223708

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine (CID 12066449) is 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine is Clc1nc(Cl)c2cn[nH]c2n1.
What is the InChIKey of 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is CTYPROOLWJDUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11).
What are the key properties of 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine?
4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 189.01 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 12066449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).