N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C20H23N5O2 — CID 121320194

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)CCO4)nc2n1
InChIInChI=1S/C20H23N5O2/c1-13-10-17(15-4-7-26-8-5-15)25-20(22-13)23-19(24-25)21-12-14-2-3-18-16(11-14)6-9-27-18/h2-3,10-11,15H,4-9,12H2,1H3,(H,21,24)
InChIKeyYGVCSFFOFVGSJC-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.87
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320194) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320194
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)CCO4)nc2n1
InChIInChI=1S/C20H23N5O2/c1-13-10-17(15-4-7-26-8-5-15)25-20(22-13)23-19(24-25)21-12-14-2-3-18-16(11-14)6-9-27-18/h2-3,10-11,15H,4-9,12H2,1H3,(H,21,24)
InChIKeyYGVCSFFOFVGSJC-UHFFFAOYSA-N
XLogP2.87
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320194) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)CCO4)nc2n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is YGVCSFFOFVGSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-10-17(15-4-7-26-8-5-15)25-20(22-13)23-19(24-25)21-12-14-2-3-18-16(11-14)6-9-27-18/h2-3,10-11,15H,4-9,12H2,1H3,(H,21,24).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).