methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

C20H26N4O5S — CID 43952528

IUPACmethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(OC)nc(OC)n2)sc2c1CC(C)(C)NC2(C)C
InChIInChI=1S/C20H26N4O5S/c1-19(2)9-10-13(17(26)28-6)16(30-14(10)20(3,4)24-19)23-15(25)11-8-12(27-5)22-18(21-11)29-7/h8,24H,9H2,1-7H3,(H,23,25)
InChIKeyIGJSNGHWSXBHHT-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.75
Rot. Bonds5

About methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate (PubChem CID 43952528) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
PubChem CID43952528
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Namemethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(OC)nc(OC)n2)sc2c1CC(C)(C)NC2(C)C
InChIInChI=1S/C20H26N4O5S/c1-19(2)9-10-13(17(26)28-6)16(30-14(10)20(3,4)24-19)23-15(25)11-8-12(27-5)22-18(21-11)29-7/h8,24H,9H2,1-7H3,(H,23,25)
InChIKeyIGJSNGHWSXBHHT-UHFFFAOYSA-N
XLogP2.75
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5,5,7,7-tetramethyl-2-(naphthalene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4072775
methyl 2-[(4-fluorobenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 5195126
methyl 2-(butanoylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4601215
methyl 4-[(3-carbamoyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate
CID 3663157
methyl 2-[(4-butoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4060868
methyl 2-[(3-ethylsulfonylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 41044226
methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4650412
ethyl 2-[(2-methoxycarbonylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43952506
methyl 2-[[4-[bis(prop-2-enyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 3298606
ethyl 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4617667
[3-[(5,5,7,7-tetramethyl-3-propan-2-yloxycarbonyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]boronic acid
CID 148935680
ethyl 2-[(3,4-diethoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43952470

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate (CID 43952528) is methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(NC(=O)c2cc(OC)nc(OC)n2)sc2c1CC(C)(C)NC2(C)C.
What is the InChIKey of methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is IGJSNGHWSXBHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-19(2)9-10-13(17(26)28-6)16(30-14(10)20(3,4)24-19)23-15(25)11-8-12(27-5)22-18(21-11)29-7/h8,24H,9H2,1-7H3,(H,23,25).
What are the key properties of methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 434.52 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 43952528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).