1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine

C15H17N5 — CID 63197828

IUPAC1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H17N5/c1-2-11(16)8-14-13-9-19-20(15(13)18-10-17-14)12-6-4-3-5-7-12/h3-7,9-11H,2,8,16H2,1H3
InChIKeyDLFDMFKKPZSCRR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.10
Rot. Bonds4

About 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine

1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine (PubChem CID 63197828) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
PubChem CID63197828
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H17N5/c1-2-11(16)8-14-13-9-19-20(15(13)18-10-17-14)12-6-4-3-5-7-12/h3-7,9-11H,2,8,16H2,1H3
InChIKeyDLFDMFKKPZSCRR-UHFFFAOYSA-N
XLogP2.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine?
The IUPAC name of 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine (CID 63197828) is 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine is CCC(N)Cc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine?
The InChIKey is DLFDMFKKPZSCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-11(16)8-14-13-9-19-20(15(13)18-10-17-14)12-6-4-3-5-7-12/h3-7,9-11H,2,8,16H2,1H3.
What are the key properties of 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine?
1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 63197828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).