(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine

C21H22N4O2 — CID 163837665

IUPAC(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine
SMILESC=C1CN(c2cnc(-c3ccnc(C)c3)c(-c3ccoc3C)n2)C[C@H](C)O1
InChIInChI=1S/C21H22N4O2/c1-13-9-17(5-7-22-13)20-21(18-6-8-26-16(18)4)24-19(10-23-20)25-11-14(2)27-15(3)12-25/h5-10,15H,2,11-12H2,1,3-4H3/t15-/m0/s1
InChIKeyOJFJAZMXDYPILH-HNNXBMFYSA-N
MW362.43 g/mol
LogP4.15
Rot. Bonds3

About (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine

(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine (PubChem CID 163837665) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine
PubChem CID163837665
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine
SMILESC=C1CN(c2cnc(-c3ccnc(C)c3)c(-c3ccoc3C)n2)C[C@H](C)O1
InChIInChI=1S/C21H22N4O2/c1-13-9-17(5-7-22-13)20-21(18-6-8-26-16(18)4)24-19(10-23-20)25-11-14(2)27-15(3)12-25/h5-10,15H,2,11-12H2,1,3-4H3/t15-/m0/s1
InChIKeyOJFJAZMXDYPILH-HNNXBMFYSA-N
XLogP4.15
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
CID 86702429
2-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-5-(2-methyl-4-pyridinyl)pyrimidin-4-yl]-6-(trifluoromethyl)benzonitrile
CID 162590384
4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)-2-piperidin-1-ylpyrimidin-1-ium
CID 163577516
(2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 86702424
2,6-dimethyl-4-[4-(2-methylfuran-3-yl)pyrimidin-2-yl]morpholine
CID 67513642
(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 142717581
(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine
CID 166777893
(9S)-3,4-dimethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 121350754
5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 124912884
4-ethyl-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 145083599
(6R)-3-(3,4-dichlorophenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 131636294
4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 106752830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine?
The IUPAC name of (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine (CID 163837665) is (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine.
What is the SMILES notation for (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine?
The canonical SMILES for (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine is C=C1CN(c2cnc(-c3ccnc(C)c3)c(-c3ccoc3C)n2)C[C@H](C)O1.
What is the InChIKey of (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine?
The InChIKey is OJFJAZMXDYPILH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-9-17(5-7-22-13)20-21(18-6-8-26-16(18)4)24-19(10-23-20)25-11-14(2)27-15(3)12-25/h5-10,15H,2,11-12H2,1,3-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine?
(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine has a molecular weight of 362.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine is sourced from PubChem (CID 163837665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).