(2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine

C16H26N4O — CID 129446447

IUPAC(2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESCc1ccnc(N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C16H26N4O/c1-12-6-7-17-16(18-12)20-8-4-5-15(20)11-19-9-13(2)21-14(3)10-19/h6-7,13-15H,4-5,8-11H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeyWTYYIPVLLQOVJH-SOUVJXGZSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds3

About (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine

(2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine (PubChem CID 129446447) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
PubChem CID129446447
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESCc1ccnc(N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C16H26N4O/c1-12-6-7-17-16(18-12)20-8-4-5-15(20)11-19-9-13(2)21-14(3)10-19/h6-7,13-15H,4-5,8-11H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeyWTYYIPVLLQOVJH-SOUVJXGZSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine with MolForge

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Related Compounds

4-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]morpholine
CID 133309507
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 80679897
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 99714406
(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 99714419
2-methyl-N-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55219733
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 86849322
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494
2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
CID 102937159
4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
CID 75503323
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine (CID 129446447) is (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine is Cc1ccnc(N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is WTYYIPVLLQOVJH-SOUVJXGZSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-6-7-17-16(18-12)20-8-4-5-15(20)11-19-9-13(2)21-14(3)10-19/h6-7,13-15H,4-5,8-11H2,1-3H3/t13-,14-,15+/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
(2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 290.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-[[(2R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 129446447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).