6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine

C10H13ClN4 — CID 155413736

IUPAC6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine
SMILESCC(C)Cc1nc(Cl)nc2c1cnn2C
InChIInChI=1S/C10H13ClN4/c1-6(2)4-8-7-5-12-15(3)9(7)14-10(11)13-8/h5-6H,4H2,1-3H3
InChIKeyPZBMXQZYGSMUKS-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.22
Rot. Bonds2

About 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine

6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 155413736) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine
PubChem CID155413736
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine
SMILESCC(C)Cc1nc(Cl)nc2c1cnn2C
InChIInChI=1S/C10H13ClN4/c1-6(2)4-8-7-5-12-15(3)9(7)14-10(11)13-8/h5-6H,4H2,1-3H3
InChIKeyPZBMXQZYGSMUKS-UHFFFAOYSA-N
XLogP2.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine (CID 155413736) is 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine is CC(C)Cc1nc(Cl)nc2c1cnn2C.
What is the InChIKey of 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is PZBMXQZYGSMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-6(2)4-8-7-5-12-15(3)9(7)14-10(11)13-8/h5-6H,4H2,1-3H3.
What are the key properties of 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine?
6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 224.69 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 155413736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).