5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine

C17H21N5O3 — CID 73427140

IUPAC5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine
SMILESCC1(C)COc2c(nc(-c3ccc(N)nc3)nc2N2CCOCC2)O1
InChIInChI=1S/C17H21N5O3/c1-17(2)10-24-13-15(22-5-7-23-8-6-22)20-14(21-16(13)25-17)11-3-4-12(18)19-9-11/h3-4,9H,5-8,10H2,1-2H3,(H2,18,19)
InChIKeyGMIQBKDZSYPIJV-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.51
Rot. Bonds2

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

5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine (PubChem CID 73427140) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine
PubChem CID73427140
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine
SMILESCC1(C)COc2c(nc(-c3ccc(N)nc3)nc2N2CCOCC2)O1
InChIInChI=1S/C17H21N5O3/c1-17(2)10-24-13-15(22-5-7-23-8-6-22)20-14(21-16(13)25-17)11-3-4-12(18)19-9-11/h3-4,9H,5-8,10H2,1-2H3,(H2,18,19)
InChIKeyGMIQBKDZSYPIJV-UHFFFAOYSA-N
XLogP1.51
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine
CID 90001666
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421
5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine
CID 67514428
5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 73427037
5-(6-amino-3-pyridinyl)-4-ethyl-6-morpholin-4-ylpyrimidin-2-amine
CID 70671415
4-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-5-amine
CID 59507841
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one
CID 159646523
5-[4-(1-cyclopropylsulfanylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]pyridin-2-amine
CID 143742055
5-(5-morpholin-4-yl-2-pyridinyl)pyridin-2-amine
CID 172791169
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one
CID 126580532

Frequently Asked Questions

What is the IUPAC name of 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine?
The IUPAC name of 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine (CID 73427140) is 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine is CC1(C)COc2c(nc(-c3ccc(N)nc3)nc2N2CCOCC2)O1.
What is the InChIKey of 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine?
The InChIKey is GMIQBKDZSYPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-17(2)10-24-13-15(22-5-7-23-8-6-22)20-14(21-16(13)25-17)11-3-4-12(18)19-9-11/h3-4,9H,5-8,10H2,1-2H3,(H2,18,19).
What are the key properties of 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine?
5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 73427140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).