3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H13N5O — CID 66580503

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccc3c(c2)CCO3)c2c(N)ncnc21
InChIInChI=1S/C14H13N5O/c1-19-14-11(13(15)16-7-17-14)12(18-19)9-2-3-10-8(6-9)4-5-20-10/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17)
InChIKeyZYQVNRGEVCKDSR-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.55
Rot. Bonds1

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 66580503) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID66580503
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccc3c(c2)CCO3)c2c(N)ncnc21
InChIInChI=1S/C14H13N5O/c1-19-14-11(13(15)16-7-17-14)12(18-19)9-2-3-10-8(6-9)4-5-20-10/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17)
InChIKeyZYQVNRGEVCKDSR-UHFFFAOYSA-N
XLogP1.55
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 66580503) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2ccc3c(c2)CCO3)c2c(N)ncnc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZYQVNRGEVCKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-19-14-11(13(15)16-7-17-14)12(18-19)9-2-3-10-8(6-9)4-5-20-10/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 66580503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).