N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C16H17N5O — CID 661073

IUPACN-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)cc1
InChIInChI=1S/C16H17N5O/c1-2-5-12(6-3-1)21-16-14(10-20-21)15(18-11-19-16)17-9-13-7-4-8-22-13/h1-3,5-6,10-11,13H,4,7-9H2,(H,17,18,19)
InChIKeyTVPJXDKGYSDAKK-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.41
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661073) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661073
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)cc1
InChIInChI=1S/C16H17N5O/c1-2-5-12(6-3-1)21-16-14(10-20-21)15(18-11-19-16)17-9-13-7-4-8-22-13/h1-3,5-6,10-11,13H,4,7-9H2,(H,17,18,19)
InChIKeyTVPJXDKGYSDAKK-UHFFFAOYSA-N
XLogP2.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 661073) is N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is c1ccc(-n2ncc3c(NCC4CCCO4)ncnc32)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is TVPJXDKGYSDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-5-12(6-3-1)21-16-14(10-20-21)15(18-11-19-16)17-9-13-7-4-8-22-13/h1-3,5-6,10-11,13H,4,7-9H2,(H,17,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).