4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine

C7H6Cl2N4 — CID 58345958

IUPAC4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine
SMILESCCn1ncc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H6Cl2N4/c1-2-13-6-4(3-10-13)5(8)11-7(9)12-6/h3H,2H2,1H3
InChIKeyMBSDYSAYKSKMQZ-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.15
Rot. Bonds1

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

4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine (PubChem CID 58345958) has the molecular formula C7H6Cl2N4 and a molecular weight of 217.06 g/mol. Its IUPAC name is 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine
PubChem CID58345958
Molecular FormulaC7H6Cl2N4
Molecular Weight217.06 g/mol
Exact Mass216.00
IUPAC Name4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine
SMILESCCn1ncc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H6Cl2N4/c1-2-13-6-4(3-10-13)5(8)11-7(9)12-6/h3H,2H2,1H3
InChIKeyMBSDYSAYKSKMQZ-UHFFFAOYSA-N
XLogP2.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine (CID 58345958) is 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine is CCn1ncc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is MBSDYSAYKSKMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N4/c1-2-13-6-4(3-10-13)5(8)11-7(9)12-6/h3H,2H2,1H3.
What are the key properties of 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine?
4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 217.06 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-ethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 58345958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).