N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C22H25ClN4O5S — CID 22330606

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)c2c1=O
InChIInChI=1S/C22H25ClN4O5S/c1-6-26(7-2)17(28)10-27-11-24-21-18(22(27)30)12(3)19(33-21)20(29)25-14-8-13(23)15(31-4)9-16(14)32-5/h8-9,11H,6-7,10H2,1-5H3,(H,25,29)
InChIKeyRPNNOJUFUXTQSQ-UHFFFAOYSA-N
MW492.99 g/mol
LogP3.56
Rot. Bonds8

About N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 22330606) has the molecular formula C22H25ClN4O5S and a molecular weight of 492.99 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID22330606
Molecular FormulaC22H25ClN4O5S
Molecular Weight492.99 g/mol
Exact Mass492.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)c2c1=O
InChIInChI=1S/C22H25ClN4O5S/c1-6-26(7-2)17(28)10-27-11-24-21-18(22(27)30)12(3)19(33-21)20(29)25-14-8-13(23)15(31-4)9-16(14)32-5/h8-9,11H,6-7,10H2,1-5H3,(H,25,29)
InChIKeyRPNNOJUFUXTQSQ-UHFFFAOYSA-N
XLogP3.56
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 22330598
3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 44640299
3-[2-(diethylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 22330612
3-[2-(diethylamino)-2-oxoethyl]-N-(3-methoxypropyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 22330602
2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 3669144
3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617397
3-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40883301
N-(2-methoxyphenyl)-5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 1078301
3-benzyl-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 9122793
N-(2-methoxyphenyl)-5-methyl-3-[2-(2-methylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 1182133
cyclohexyl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 1404979
3-[2-(4-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40913563

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 22330606) is N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)c2c1=O.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RPNNOJUFUXTQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O5S/c1-6-26(7-2)17(28)10-27-11-24-21-18(22(27)30)12(3)19(33-21)20(29)25-14-8-13(23)15(31-4)9-16(14)32-5/h8-9,11H,6-7,10H2,1-5H3,(H,25,29).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 492.99 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 22330606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).