4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine

C20H23N5O3S — CID 110237360

IUPAC4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESCOc1cc(-c2cnc(N3CC(C)OC(C)C3)nc2-c2cccs2)nc(OC)n1
InChIInChI=1S/C20H23N5O3S/c1-12-10-25(11-13(2)28-12)19-21-9-14(18(24-19)16-6-5-7-29-16)15-8-17(26-3)23-20(22-15)27-4/h5-9,12-13H,10-11H2,1-4H3
InChIKeyKDBUEGNZUYFSGL-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.29
Rot. Bonds5

About 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine

4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine (PubChem CID 110237360) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine
PubChem CID110237360
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine
SMILESCOc1cc(-c2cnc(N3CC(C)OC(C)C3)nc2-c2cccs2)nc(OC)n1
InChIInChI=1S/C20H23N5O3S/c1-12-10-25(11-13(2)28-12)19-21-9-14(18(24-19)16-6-5-7-29-16)15-8-17(26-3)23-20(22-15)27-4/h5-9,12-13H,10-11H2,1-4H3
InChIKeyKDBUEGNZUYFSGL-UHFFFAOYSA-N
XLogP3.29
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-amine
CID 46954719
(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine
CID 95803035
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
CID 69088090
1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol
CID 110220030
5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine
CID 110220898
(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95800124
11-(5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 110237017
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 51958863
2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273516
(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
CID 86702429
(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 142717581

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine (CID 110237360) is 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine is COc1cc(-c2cnc(N3CC(C)OC(C)C3)nc2-c2cccs2)nc(OC)n1.
What is the InChIKey of 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine?
The InChIKey is KDBUEGNZUYFSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-12-10-25(11-13(2)28-12)19-21-9-14(18(24-19)16-6-5-7-29-16)15-8-17(26-3)23-20(22-15)27-4/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine?
4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine has a molecular weight of 413.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 110237360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).