N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine

C15H14N6 — CID 25263282

IUPACN,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine
SMILESCNc1nc2cc(-c3ccccc3)nn2c2c1ncn2C
InChIInChI=1S/C15H14N6/c1-16-14-13-15(20(2)9-17-13)21-12(18-14)8-11(19-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)
InChIKeySKZBDNWUNUGWAT-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.32
Rot. Bonds2

About N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine

N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine (PubChem CID 25263282) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine
PubChem CID25263282
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC NameN,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine
SMILESCNc1nc2cc(-c3ccccc3)nn2c2c1ncn2C
InChIInChI=1S/C15H14N6/c1-16-14-13-15(20(2)9-17-13)21-12(18-14)8-11(19-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)
InChIKeySKZBDNWUNUGWAT-UHFFFAOYSA-N
XLogP2.32
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine?
The IUPAC name of N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine (CID 25263282) is N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine.
What is the SMILES notation for N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine?
The canonical SMILES for N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine is CNc1nc2cc(-c3ccccc3)nn2c2c1ncn2C.
What is the InChIKey of N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine?
The InChIKey is SKZBDNWUNUGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-16-14-13-15(20(2)9-17-13)21-12(18-14)8-11(19-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18).
What are the key properties of N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine?
N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine has a molecular weight of 278.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-7-phenylpyrazolo[5,1-b]purin-4-amine is sourced from PubChem (CID 25263282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).