5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine

C15H17FN6O3 — CID 73427037

IUPAC5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc3c(c(N4CCOCC4)n2)OCC(CF)O3)cn1
InChIInChI=1S/C15H17FN6O3/c16-5-10-8-24-11-13(22-1-3-23-4-2-22)20-12(21-14(11)25-10)9-6-18-15(17)19-7-9/h6-7,10H,1-5,8H2,(H2,17,18,19)
InChIKeyPQVJJQGYRTUARP-UHFFFAOYSA-N
MW348.34 g/mol
LogP0.46
Rot. Bonds3

About 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 73427037) has the molecular formula C15H17FN6O3 and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID73427037
Molecular FormulaC15H17FN6O3
Molecular Weight348.34 g/mol
Exact Mass348.13
IUPAC Name5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc3c(c(N4CCOCC4)n2)OCC(CF)O3)cn1
InChIInChI=1S/C15H17FN6O3/c16-5-10-8-24-11-13(22-1-3-23-4-2-22)20-12(21-14(11)25-10)9-6-18-15(17)19-7-9/h6-7,10H,1-5,8H2,(H2,17,18,19)
InChIKeyPQVJJQGYRTUARP-UHFFFAOYSA-N
XLogP0.46
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

5-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829304
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 70793818
5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 127049341
5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine
CID 73427140
5-(6-cyclopropyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 58405017
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
CID 54670188
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235079

Frequently Asked Questions

What is the IUPAC name of 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 73427037) is 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine is Nc1ncc(-c2nc3c(c(N4CCOCC4)n2)OCC(CF)O3)cn1.
What is the InChIKey of 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is PQVJJQGYRTUARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O3/c16-5-10-8-24-11-13(22-1-3-23-4-2-22)20-12(21-14(11)25-10)9-6-18-15(17)19-7-9/h6-7,10H,1-5,8H2,(H2,17,18,19).
What are the key properties of 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 348.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 73427037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).