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

C19H19N5O2 — CID 138516086

IUPACN-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESC1=C(c2cnc(NCc3cccc4c3CCO4)n3cnnc23)CCOC1
InChIInChI=1S/C19H19N5O2/c1-2-14(15-6-9-26-17(15)3-1)10-20-19-21-11-16(13-4-7-25-8-5-13)18-23-22-12-24(18)19/h1-4,11-12H,5-10H2,(H,20,21)
InChIKeyHMQWXMWKXFUHHT-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.47
Rot. Bonds4

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

N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 138516086) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID138516086
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESC1=C(c2cnc(NCc3cccc4c3CCO4)n3cnnc23)CCOC1
InChIInChI=1S/C19H19N5O2/c1-2-14(15-6-9-26-17(15)3-1)10-20-19-21-11-16(13-4-7-25-8-5-13)18-23-22-12-24(18)19/h1-4,11-12H,5-10H2,(H,20,21)
InChIKeyHMQWXMWKXFUHHT-UHFFFAOYSA-N
XLogP2.47
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

8-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432950
8-(1-cyclopropylpyrazol-4-yl)-N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432905
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[6-[2-(dimethylamino)ethyl]-3-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432945
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(6-ethoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432941
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[6-(2-methoxyethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432840
4-[5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]piperazine-1-carbaldehyde
CID 121432975
4-[5-[5-(2,3-dihydro-1-benzofuran-4-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-2-methylpiperazine-1-carboxylic acid
CID 137440475
[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,3,6,7-tetrahydroazepin-1-yl]-(oxetan-3-yl)methanone
CID 138516213
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432929
8-(2,4-dichlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432853
N-ethyl-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 138516232
tert-butyl 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138516257

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 138516086) is N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is C1=C(c2cnc(NCc3cccc4c3CCO4)n3cnnc23)CCOC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is HMQWXMWKXFUHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-14(15-6-9-26-17(15)3-1)10-20-19-21-11-16(13-4-7-25-8-5-13)18-23-22-12-24(18)19/h1-4,11-12H,5-10H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 349.39 g/mol, XLogP of 2.47, 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-4-ylmethyl)-8-(3,6-dihydro-2H-pyran-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 138516086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).