4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

C15H16N6 — CID 3241090

IUPAC4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2nc(N3CCCC3)nc(-c3ccccc3)c12
InChIInChI=1S/C15H16N6/c16-13-11-12(10-6-2-1-3-7-10)17-15(18-14(11)20-19-13)21-8-4-5-9-21/h1-3,6-7H,4-5,8-9H2,(H3,16,17,18,19,20)
InChIKeyKXBOCBVVELRQNO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.20
Rot. Bonds2

About 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 3241090) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID3241090
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2nc(N3CCCC3)nc(-c3ccccc3)c12
InChIInChI=1S/C15H16N6/c16-13-11-12(10-6-2-1-3-7-10)17-15(18-14(11)20-19-13)21-8-4-5-9-21/h1-3,6-7H,4-5,8-9H2,(H3,16,17,18,19,20)
InChIKeyKXBOCBVVELRQNO-UHFFFAOYSA-N
XLogP2.20
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 3241090) is 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is Nc1[nH]nc2nc(N3CCCC3)nc(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is KXBOCBVVELRQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-13-11-12(10-6-2-1-3-7-10)17-15(18-14(11)20-19-13)21-8-4-5-9-21/h1-3,6-7H,4-5,8-9H2,(H3,16,17,18,19,20).
What are the key properties of 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 280.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 3241090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).