6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C20H21FN8O3 — CID 58465108

IUPAC6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOCCN(C)c1ccc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)CO4)n2)cn1
InChIInChI=1S/C20H21FN8O3/c1-29(7-8-31-2)16-6-3-12(9-22-16)24-20-23-10-13(21)18(28-20)25-15-5-4-14-19(26-15)27-17(30)11-32-14/h3-6,9-10H,7-8,11H2,1-2H3,(H3,23,24,25,26,27,28,30)
InChIKeyIMNJPMDKACGGQX-UHFFFAOYSA-N
MW440.44 g/mol
LogP2.31
Rot. Bonds8

About 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 58465108) has the molecular formula C20H21FN8O3 and a molecular weight of 440.44 g/mol. Its IUPAC name is 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID58465108
Molecular FormulaC20H21FN8O3
Molecular Weight440.44 g/mol
Exact Mass440.17
IUPAC Name6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOCCN(C)c1ccc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)CO4)n2)cn1
InChIInChI=1S/C20H21FN8O3/c1-29(7-8-31-2)16-6-3-12(9-22-16)24-20-23-10-13(21)18(28-20)25-15-5-4-14-19(26-15)27-17(30)11-32-14/h3-6,9-10H,7-8,11H2,1-2H3,(H3,23,24,25,26,27,28,30)
InChIKeyIMNJPMDKACGGQX-UHFFFAOYSA-N
XLogP2.31
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
4-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one
CID 24866867
8-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxypyridin-3-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645478
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 44594177
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 54590901
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049974
8-(4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049998
8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050047
8-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050100
N-[1-(2-methoxypyridin-4-yl)piperidin-4-yl]-8-[2-(trifluoromethoxy)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050174

Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 58465108) is 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COCCN(C)c1ccc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)CO4)n2)cn1.
What is the InChIKey of 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is IMNJPMDKACGGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8O3/c1-29(7-8-31-2)16-6-3-12(9-22-16)24-20-23-10-13(21)18(28-20)25-15-5-4-14-19(26-15)27-17(30)11-32-14/h3-6,9-10H,7-8,11H2,1-2H3,(H3,23,24,25,26,27,28,30).
What are the key properties of 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 440.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 58465108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).