7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine

C10H13ClN4 — CID 14006556

IUPAC7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine
SMILESCc1nn(C)c2c(Cl)nc(C(C)C)nc12
InChIInChI=1S/C10H13ClN4/c1-5(2)10-12-7-6(3)14-15(4)8(7)9(11)13-10/h5H,1-4H3
InChIKeyYHRMDYCTOBUEIB-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.45
Rot. Bonds1

About 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine

7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine (PubChem CID 14006556) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine
PubChem CID14006556
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine
SMILESCc1nn(C)c2c(Cl)nc(C(C)C)nc12
InChIInChI=1S/C10H13ClN4/c1-5(2)10-12-7-6(3)14-15(4)8(7)9(11)13-10/h5H,1-4H3
InChIKeyYHRMDYCTOBUEIB-UHFFFAOYSA-N
XLogP2.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine (CID 14006556) is 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine is Cc1nn(C)c2c(Cl)nc(C(C)C)nc12.
What is the InChIKey of 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine?
The InChIKey is YHRMDYCTOBUEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-5(2)10-12-7-6(3)14-15(4)8(7)9(11)13-10/h5H,1-4H3.
What are the key properties of 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine?
7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine has a molecular weight of 224.69 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 14006556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).