2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine

C14H17N3OS — CID 133379222

IUPAC2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
SMILESCc1cc(N2CC(C)OC(c3ccsc3)C2)ncn1
InChIInChI=1S/C14H17N3OS/c1-10-5-14(16-9-15-10)17-6-11(2)18-13(7-17)12-3-4-19-8-12/h3-5,8-9,11,13H,6-7H2,1-2H3
InChIKeyMVAHLVCXOKIBAI-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.81
Rot. Bonds2

About 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine

2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine (PubChem CID 133379222) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
PubChem CID133379222
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
SMILESCc1cc(N2CC(C)OC(c3ccsc3)C2)ncn1
InChIInChI=1S/C14H17N3OS/c1-10-5-14(16-9-15-10)17-6-11(2)18-13(7-17)12-3-4-19-8-12/h3-5,8-9,11,13H,6-7H2,1-2H3
InChIKeyMVAHLVCXOKIBAI-UHFFFAOYSA-N
XLogP2.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133490501
6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
CID 99778550
4-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 99716093
(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine
CID 99107655
(2S,6R)-4-(5-fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 124851478
2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
CID 133379191
4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379376
2-cyclopropyl-6-methyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 154779371
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-3-sulfonamide
CID 133379318
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133379346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The IUPAC name of 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine (CID 133379222) is 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine.
What is the SMILES notation for 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The canonical SMILES for 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine is Cc1cc(N2CC(C)OC(c3ccsc3)C2)ncn1.
What is the InChIKey of 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The InChIKey is MVAHLVCXOKIBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-5-14(16-9-15-10)17-6-11(2)18-13(7-17)12-3-4-19-8-12/h3-5,8-9,11,13H,6-7H2,1-2H3.
What are the key properties of 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine has a molecular weight of 275.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 133379222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).