(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine

C22H26N4O2 — CID 142717581

IUPAC(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESCc1nccc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccoc2C)c1C
InChIInChI=1S/C22H26N4O2/c1-13-11-26(12-14(2)28-13)22-24-10-20(18-6-8-23-16(4)15(18)3)21(25-22)19-7-9-27-17(19)5/h6-10,13-14H,11-12H2,1-5H3/t13-,14+
InChIKeyGHBHTCSYLVEKBH-OKILXGFUSA-N
MW378.48 g/mol
LogP4.34
Rot. Bonds3

About (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine (PubChem CID 142717581) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
PubChem CID142717581
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESCc1nccc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccoc2C)c1C
InChIInChI=1S/C22H26N4O2/c1-13-11-26(12-14(2)28-13)22-24-10-20(18-6-8-23-16(4)15(18)3)21(25-22)19-7-9-27-17(19)5/h6-10,13-14H,11-12H2,1-5H3/t13-,14+
InChIKeyGHBHTCSYLVEKBH-OKILXGFUSA-N
XLogP4.34
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine with MolForge

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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
2,6-dimethyl-4-[4-(2-methylfuran-3-yl)pyrimidin-2-yl]morpholine
CID 67513642
(2S,6R)-4-[5-bromo-6-(2-methylfuran-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 86702424
(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine
CID 95803035
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
(2S)-2-methyl-4-[6-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrazin-2-yl]-6-methylidenemorpholine
CID 163837665
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine
CID 46953474
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
CID 69088090
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carbothioamide
CID 107548161
2-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-5-(2-methyl-4-pyridinyl)pyrimidin-4-yl]-6-(trifluoromethyl)benzonitrile
CID 162590384

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine (CID 142717581) is (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine is Cc1nccc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccoc2C)c1C.
What is the InChIKey of (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine?
The InChIKey is GHBHTCSYLVEKBH-OKILXGFUSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13-11-26(12-14(2)28-13)22-24-10-20(18-6-8-23-16(4)15(18)3)21(25-22)19-7-9-27-17(19)5/h6-10,13-14H,11-12H2,1-5H3/t13-,14+.
What are the key properties of (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine has a molecular weight of 378.48 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 142717581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).