[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

C14H20N4O2S — CID 154580734

IUPAC[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCc1ccnc(N2CCOC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C14H20N4O2S/c1-11-2-3-15-14(16-11)18-4-7-20-12(10-18)13(19)17-5-8-21-9-6-17/h2-3,12H,4-10H2,1H3
InChIKeyNDWYHFYDWAMCEW-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.57
Rot. Bonds2

About [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone

[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 154580734) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID154580734
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCc1ccnc(N2CCOC(C(=O)N3CCSCC3)C2)n1
InChIInChI=1S/C14H20N4O2S/c1-11-2-3-15-14(16-11)18-4-7-20-12(10-18)13(19)17-5-8-21-9-6-17/h2-3,12H,4-10H2,1H3
InChIKeyNDWYHFYDWAMCEW-UHFFFAOYSA-N
XLogP0.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-methyl-4-(4-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 97348797
[4-[4-(dimethylamino)pyrimidin-2-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163345813
N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79680518
[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 155800091
(4-quinolin-4-ylmorpholin-2-yl)-thiomorpholin-4-ylmethanone
CID 163346299
4,6-dimethyl-2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 154583149
[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154581086
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146079752
[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 163352782
2-[2-(thiomorpholine-4-carbonyl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 163343816
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155799926
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone (CID 154580734) is [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is Cc1ccnc(N2CCOC(C(=O)N3CCSCC3)C2)n1.
What is the InChIKey of [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is NDWYHFYDWAMCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-2-3-15-14(16-11)18-4-7-20-12(10-18)13(19)17-5-8-21-9-6-17/h2-3,12H,4-10H2,1H3.
What are the key properties of [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone?
[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 308.41 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 154580734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).