6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C22H25N3O4S — CID 46354940

IUPAC6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCc1cnc2c(c1SCC(=O)c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H25N3O4S/c1-5-6-7-15-12-23-20-18(21(27)25(3)22(28)24(20)2)19(15)30-13-17(26)14-8-10-16(29-4)11-9-14/h8-12H,5-7,13H2,1-4H3
InChIKeyMVZQAZAVMBSFJC-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.96
Rot. Bonds8

About 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 46354940) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID46354940
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCc1cnc2c(c1SCC(=O)c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H25N3O4S/c1-5-6-7-15-12-23-20-18(21(27)25(3)22(28)24(20)2)19(15)30-13-17(26)14-8-10-16(29-4)11-9-14/h8-12H,5-7,13H2,1-4H3
InChIKeyMVZQAZAVMBSFJC-UHFFFAOYSA-N
XLogP2.96
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424369
6-butyl-1,3-dimethyl-5-phenacylsulfanylpyrido[2,3-d]pyrimidine-2,4-dione
CID 26844432
methyl 4-[[2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate
CID 26844400
2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 26844389
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide
CID 16841024
2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 26844378
2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 26844380
2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 22579300
2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 44827607
N-(4-acetylphenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585373
N-(2,5-dimethoxyphenyl)-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585347
2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N,N-diethylacetamide
CID 7424401

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 46354940) is 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCCCc1cnc2c(c1SCC(=O)c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MVZQAZAVMBSFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-5-6-7-15-12-23-20-18(21(27)25(3)22(28)24(20)2)19(15)30-13-17(26)14-8-10-16(29-4)11-9-14/h8-12H,5-7,13H2,1-4H3.
What are the key properties of 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 427.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 46354940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).