8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C19H18FN5O2 — CID 138515961

IUPAC8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(C3=CCOCC3)c3nncn13)CCO2
InChIInChI=1S/C19H18FN5O2/c20-16-1-2-17-13(5-8-27-17)15(16)10-22-19-21-9-14(12-3-6-26-7-4-12)18-24-23-11-25(18)19/h1-3,9,11H,4-8,10H2,(H,21,22)
InChIKeyPPONVVPFTUWVON-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.61
Rot. Bonds4

About 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 138515961) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID138515961
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(C3=CCOCC3)c3nncn13)CCO2
InChIInChI=1S/C19H18FN5O2/c20-16-1-2-17-13(5-8-27-17)15(16)10-22-19-21-9-14(12-3-6-26-7-4-12)18-24-23-11-25(18)19/h1-3,9,11H,4-8,10H2,(H,21,22)
InChIKeyPPONVVPFTUWVON-UHFFFAOYSA-N
XLogP2.61
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 138515961) is 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Fc1ccc2c(c1CNc1ncc(C3=CCOCC3)c3nncn13)CCO2.
What is the InChIKey of 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is PPONVVPFTUWVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-16-1-2-17-13(5-8-27-17)15(16)10-22-19-21-9-14(12-3-6-26-7-4-12)18-24-23-11-25(18)19/h1-3,9,11H,4-8,10H2,(H,21,22).
What are the key properties of 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 367.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dihydro-2H-pyran-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 138515961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).