(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine

C13H13FN4O — CID 166777893

IUPAC(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine
SMILESC=C1CN(c2ncc(F)c3nccnc23)C[C@H](C)O1
InChIInChI=1S/C13H13FN4O/c1-8-6-18(7-9(2)19-8)13-12-11(10(14)5-17-13)15-3-4-16-12/h3-5,9H,1,6-7H2,2H3/t9-/m0/s1
InChIKeyKBUOGURTJQHGMS-VIFPVBQESA-N
MW260.27 g/mol
LogP1.90
Rot. Bonds1

About (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine

(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine (PubChem CID 166777893) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine.

Molecular Properties

Compound Name(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine
PubChem CID166777893
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine
SMILESC=C1CN(c2ncc(F)c3nccnc23)C[C@H](C)O1
InChIInChI=1S/C13H13FN4O/c1-8-6-18(7-9(2)19-8)13-12-11(10(14)5-17-13)15-3-4-16-12/h3-5,9H,1,6-7H2,2H3/t9-/m0/s1
InChIKeyKBUOGURTJQHGMS-VIFPVBQESA-N
XLogP1.90
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6R)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2,6-dimethylmorpholine
CID 129240689
2-(dimethylamino)-N-[(3R,5S)-1-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241204
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine
CID 104961834
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine
CID 163837665
2-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-5-(2-methyl-4-pyridinyl)pyrimidin-4-yl]-6-(trifluoromethyl)benzonitrile
CID 162590384
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
8-fluoro-N-[(3R,5S)-5-methylpiperidin-3-yl]pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 129251122
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774989
5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
CID 80823570
N-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]pyrimidin-5-yl]phenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
CID 162606271

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine?
The IUPAC name of (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine (CID 166777893) is (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine.
What is the SMILES notation for (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine?
The canonical SMILES for (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine is C=C1CN(c2ncc(F)c3nccnc23)C[C@H](C)O1.
What is the InChIKey of (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine?
The InChIKey is KBUOGURTJQHGMS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-6-18(7-9(2)19-8)13-12-11(10(14)5-17-13)15-3-4-16-12/h3-5,9H,1,6-7H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine?
(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine has a molecular weight of 260.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine is sourced from PubChem (CID 166777893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).