5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine

C16H19N7O2 — CID 122184952

IUPAC5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
SMILESCOCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C16H19N7O2/c1-24-10-12-2-3-13-15(22-4-6-25-7-5-22)20-14(21-23(12)13)11-8-18-16(17)19-9-11/h2-3,8-9H,4-7,10H2,1H3,(H2,17,18,19)
InChIKeyLYWHOAMOBGBXBD-UHFFFAOYSA-N
MW341.38 g/mol
LogP0.75
Rot. Bonds4

About 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine

5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine (PubChem CID 122184952) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
PubChem CID122184952
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
SMILESCOCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C16H19N7O2/c1-24-10-12-2-3-13-15(22-4-6-25-7-5-22)20-14(21-23(12)13)11-8-18-16(17)19-9-11/h2-3,8-9H,4-7,10H2,1H3,(H2,17,18,19)
InChIKeyLYWHOAMOBGBXBD-UHFFFAOYSA-N
XLogP0.75
TPSA103.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine (CID 122184952) is 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine is COCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.
What is the InChIKey of 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The InChIKey is LYWHOAMOBGBXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-24-10-12-2-3-13-15(22-4-6-25-7-5-22)20-14(21-23(12)13)11-8-18-16(17)19-9-11/h2-3,8-9H,4-7,10H2,1H3,(H2,17,18,19).
What are the key properties of 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine has a molecular weight of 341.38 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 122184952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).