6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

C8H10ClN5 — CID 89181683

IUPAC6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)c1nc(Cl)nc2c1cnn2C
InChIInChI=1S/C8H10ClN5/c1-13(2)6-5-4-10-14(3)7(5)12-8(9)11-6/h4H,1-3H3
InChIKeyCULOSJIDUSQQCS-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.08
Rot. Bonds1

About 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 89181683) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID89181683
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)c1nc(Cl)nc2c1cnn2C
InChIInChI=1S/C8H10ClN5/c1-13(2)6-5-4-10-14(3)7(5)12-8(9)11-6/h4H,1-3H3
InChIKeyCULOSJIDUSQQCS-UHFFFAOYSA-N
XLogP1.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 89181683) is 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is CN(C)c1nc(Cl)nc2c1cnn2C.
What is the InChIKey of 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CULOSJIDUSQQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-13(2)6-5-4-10-14(3)7(5)12-8(9)11-6/h4H,1-3H3.
What are the key properties of 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 211.66 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 89181683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).