4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine

C19H15ClN4O — CID 138038380

IUPAC4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(Oc2ccc(-c3ccccc3)cc2Cl)c2cnn(C)c2n1
InChIInChI=1S/C19H15ClN4O/c1-12-22-18-15(11-21-24(18)2)19(23-12)25-17-9-8-14(10-16(17)20)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyWNNFXEOUJMWHIP-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.78
Rot. Bonds3

About 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine

4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 138038380) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID138038380
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(Oc2ccc(-c3ccccc3)cc2Cl)c2cnn(C)c2n1
InChIInChI=1S/C19H15ClN4O/c1-12-22-18-15(11-21-24(18)2)19(23-12)25-17-9-8-14(10-16(17)20)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyWNNFXEOUJMWHIP-UHFFFAOYSA-N
XLogP4.78
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 138038380) is 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine is Cc1nc(Oc2ccc(-c3ccccc3)cc2Cl)c2cnn(C)c2n1.
What is the InChIKey of 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is WNNFXEOUJMWHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-12-22-18-15(11-21-24(18)2)19(23-12)25-17-9-8-14(10-16(17)20)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 350.81 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-phenylphenoxy)-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 138038380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).