(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine

C14H18N4OS — CID 94380497

IUPAC(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESC[C@@H]1CN(Cc2csc(-c3ncccn3)n2)C[C@H](C)O1
InChIInChI=1S/C14H18N4OS/c1-10-6-18(7-11(2)19-10)8-12-9-20-14(17-12)13-15-4-3-5-16-13/h3-5,9-11H,6-8H2,1-2H3/t10-,11+
InChIKeyZRPHVTYSILTQCD-PHIMTYICSA-N
MW290.39 g/mol
LogP2.21
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine

(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 94380497) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID94380497
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESC[C@@H]1CN(Cc2csc(-c3ncccn3)n2)C[C@H](C)O1
InChIInChI=1S/C14H18N4OS/c1-10-6-18(7-11(2)19-10)8-12-9-20-14(17-12)13-15-4-3-5-16-13/h3-5,9-11H,6-8H2,1-2H3/t10-,11+
InChIKeyZRPHVTYSILTQCD-PHIMTYICSA-N
XLogP2.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-[(2-pyridin-4-ylpyrimidin-4-yl)methyl]morpholine
CID 110226214
(2R)-2-methyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 95313116
4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 56781796
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 95332203
[6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
CID 102935921
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 82032239

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 94380497) is (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine is C[C@@H]1CN(Cc2csc(-c3ncccn3)n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is ZRPHVTYSILTQCD-PHIMTYICSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-6-18(7-11(2)19-10)8-12-9-20-14(17-12)13-15-4-3-5-16-13/h3-5,9-11H,6-8H2,1-2H3/t10-,11+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 290.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 94380497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).