4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C20H26N4O4S — CID 42855614

IUPAC4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCCS(=O)(=O)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(C)cc3)c2C1
InChIInChI=1S/C20H26N4O4S/c1-3-29(25,26)24-9-8-18-17(14-24)19(28-16-6-4-15(2)5-7-16)22-20(21-18)23-10-12-27-13-11-23/h4-7H,3,8-14H2,1-2H3
InChIKeyIGIBVSYXAJKDCW-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.12
Rot. Bonds5

About 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 42855614) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID42855614
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCCS(=O)(=O)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(C)cc3)c2C1
InChIInChI=1S/C20H26N4O4S/c1-3-29(25,26)24-9-8-18-17(14-24)19(28-16-6-4-15(2)5-7-16)22-20(21-18)23-10-12-27-13-11-23/h4-7H,3,8-14H2,1-2H3
InChIKeyIGIBVSYXAJKDCW-UHFFFAOYSA-N
XLogP2.12
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

[4-(4-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050324
[4-(4-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-nitrophenyl)methanone
CID 46050332
4-[6-(benzenesulfonyl)-4-(3,4-difluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072812
6-(benzenesulfonyl)-4-(4-methoxyphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46050786
4-[6-(3-chlorophenyl)sulfonyl-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072808
1-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylethanone
CID 42871127
6-(3-methylphenyl)sulfonyl-2-(4-methylpiperazin-1-yl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072899
1-[4-(4-fluoro-3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 42871304
4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 70578273
furan-2-yl-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050277
4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 42870646
furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871211

Frequently Asked Questions

What is the IUPAC name of 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 42855614) is 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is CCS(=O)(=O)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(C)cc3)c2C1.
What is the InChIKey of 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is IGIBVSYXAJKDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-3-29(25,26)24-9-8-18-17(14-24)19(28-16-6-4-15(2)5-7-16)22-20(21-18)23-10-12-27-13-11-23/h4-7H,3,8-14H2,1-2H3.
What are the key properties of 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 418.52 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-ethylsulfonyl-4-(4-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 42855614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).