4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine

C8H8Cl2N4 — CID 42609352

IUPAC4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)n1ncc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H8Cl2N4/c1-4(2)14-7-5(3-11-14)6(9)12-8(10)13-7/h3-4H,1-2H3
InChIKeySHTPXXJWYCEZPN-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.71
Rot. Bonds1

About 4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine

4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 42609352) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
PubChem CID42609352
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)n1ncc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H8Cl2N4/c1-4(2)14-7-5(3-11-14)6(9)12-8(10)13-7/h3-4H,1-2H3
InChIKeySHTPXXJWYCEZPN-UHFFFAOYSA-N
XLogP2.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.71
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-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine (CID 42609352) is 4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine is CC(C)n1ncc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is SHTPXXJWYCEZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4/c1-4(2)14-7-5(3-11-14)6(9)12-8(10)13-7/h3-4H,1-2H3.
What are the key properties of 4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine?
4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 231.09 g/mol, XLogP of 2.71, 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-propan-2-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42609352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).