7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine

C11H9N5 — CID 76847208

IUPAC7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c2[nH]ncc2n1
InChIInChI=1S/C11H9N5/c12-11-14-8-6-13-16-10(8)9(15-11)7-4-2-1-3-5-7/h1-6H,(H,13,16)(H2,12,14,15)
InChIKeyWQECJSYNMYQBFL-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.60
Rot. Bonds1

About 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine

7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine (PubChem CID 76847208) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine
PubChem CID76847208
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c2[nH]ncc2n1
InChIInChI=1S/C11H9N5/c12-11-14-8-6-13-16-10(8)9(15-11)7-4-2-1-3-5-7/h1-6H,(H,13,16)(H2,12,14,15)
InChIKeyWQECJSYNMYQBFL-UHFFFAOYSA-N
XLogP1.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-benzylsulfanyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine
CID 76847201
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
4-phenylpyrido[3,4-d]pyrimidin-2-amine
CID 122439857
4-phenylpyrimidine-2,5-diamine
CID 89253384
5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
CID 139449767
4,6-diphenylthieno[3,2-d]pyrimidin-2-amine
CID 145380929
5-fluoro-4-phenyl-1H-imidazol-2-amine
CID 141443454
3-(7-chloro-1H-pyrazolo[4,5-d]pyrimidin-5-yl)aniline
CID 90103354
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine
CID 139449779
4-phenylpteridine-2,6,7-triamine
CID 119087986
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine (CID 76847208) is 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine is Nc1nc(-c2ccccc2)c2[nH]ncc2n1.
What is the InChIKey of 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is WQECJSYNMYQBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-11-14-8-6-13-16-10(8)9(15-11)7-4-2-1-3-5-7/h1-6H,(H,13,16)(H2,12,14,15).
What are the key properties of 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine?
7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 211.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1H-pyrazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 76847208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).