4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine

C18H18N4OS — CID 133363568

IUPAC4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine
SMILESCc1cc(N2CCOC(c3cccs3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C18H18N4OS/c1-13-10-17(21-18(20-13)14-4-2-6-19-11-14)22-7-8-23-15(12-22)16-5-3-9-24-16/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyCADYGDNIIMDHQB-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.49
Rot. Bonds3

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

4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine (PubChem CID 133363568) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine
PubChem CID133363568
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine
SMILESCc1cc(N2CCOC(c3cccs3)C2)nc(-c2cccnc2)n1
InChIInChI=1S/C18H18N4OS/c1-13-10-17(21-18(20-13)14-4-2-6-19-11-14)22-7-8-23-15(12-22)16-5-3-9-24-16/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyCADYGDNIIMDHQB-UHFFFAOYSA-N
XLogP3.49
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
CID 133497431
4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363720
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
2-[1-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476555
4-(6-propan-2-yloxypyrazin-2-yl)-2-thiophen-2-ylmorpholine
CID 133491544
(3S,4S)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-phenylpiperidine-3,4-diol
CID 162630664
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133363565
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine
CID 133363756

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine (CID 133363568) is 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine is Cc1cc(N2CCOC(c3cccs3)C2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine?
The InChIKey is CADYGDNIIMDHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13-10-17(21-18(20-13)14-4-2-6-19-11-14)22-7-8-23-15(12-22)16-5-3-9-24-16/h2-6,9-11,15H,7-8,12H2,1H3.
What are the key properties of 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine?
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine has a molecular weight of 338.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).