6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C22H23FN8O3 — CID 58465135

IUPAC6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@H]1CN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)cn2)[C@@H](C)CO1
InChIInChI=1S/C22H23FN8O3/c1-12-10-33-13(2)9-31(12)18-6-3-14(7-24-18)26-22-25-8-15(23)20(30-22)27-17-5-4-16-21(28-17)29-19(32)11-34-16/h3-8,12-13H,9-11H2,1-2H3,(H3,25,26,27,28,29,30,32)/t12-,13-/m0/s1
InChIKeyAQIBZUFMVIUSCG-STQMWFEESA-N
MW466.48 g/mol
LogP2.84
Rot. Bonds5

About 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 58465135) has the molecular formula C22H23FN8O3 and a molecular weight of 466.48 g/mol. Its IUPAC name is 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID58465135
Molecular FormulaC22H23FN8O3
Molecular Weight466.48 g/mol
Exact Mass466.19
IUPAC Name6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@H]1CN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)cn2)[C@@H](C)CO1
InChIInChI=1S/C22H23FN8O3/c1-12-10-33-13(2)9-31(12)18-6-3-14(7-24-18)26-22-25-8-15(23)20(30-22)27-17-5-4-16-21(28-17)29-19(32)11-34-16/h3-8,12-13H,9-11H2,1-2H3,(H3,25,26,27,28,29,30,32)/t12-,13-/m0/s1
InChIKeyAQIBZUFMVIUSCG-STQMWFEESA-N
XLogP2.84
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-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
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
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
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 54590901
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123
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

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 58465135) is 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is C[C@H]1CN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)cn2)[C@@H](C)CO1.
What is the InChIKey of 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is AQIBZUFMVIUSCG-STQMWFEESA-N. The full InChI is InChI=1S/C22H23FN8O3/c1-12-10-33-13(2)9-31(12)18-6-3-14(7-24-18)26-22-25-8-15(23)20(30-22)27-17-5-4-16-21(28-17)29-19(32)11-34-16/h3-8,12-13H,9-11H2,1-2H3,(H3,25,26,27,28,29,30,32)/t12-,13-/m0/s1.
What are the key properties of 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 466.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 58465135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).