N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C20H24N4O3S — CID 55413345

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2sc3ncn(C)c(=O)c3c2C)N(C)C)cc1
InChIInChI=1S/C20H24N4O3S/c1-12-16-19(22-11-24(4)20(16)26)28-17(12)18(25)21-10-15(23(2)3)13-6-8-14(27-5)9-7-13/h6-9,11,15H,10H2,1-5H3,(H,21,25)
InChIKeyQGWMCTVVTYSNBR-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55413345) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55413345
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2sc3ncn(C)c(=O)c3c2C)N(C)C)cc1
InChIInChI=1S/C20H24N4O3S/c1-12-16-19(22-11-24(4)20(16)26)28-17(12)18(25)21-10-15(23(2)3)13-6-8-14(27-5)9-7-13/h6-9,11,15H,10H2,1-5H3,(H,21,25)
InChIKeyQGWMCTVVTYSNBR-UHFFFAOYSA-N
XLogP2.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 27163729
3,5-dimethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38502629
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110889150
N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 92613511
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31205800
N-(3-butoxypropyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 36844445
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555569
3-(4-chlorophenyl)-3-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 167835581
N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 91652184
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
3,5-dimethyl-4-oxo-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 38569766
N-[(2R)-3,3-dimethylbutan-2-yl]-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38623842

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 55413345) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(C(CNC(=O)c2sc3ncn(C)c(=O)c3c2C)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QGWMCTVVTYSNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-12-16-19(22-11-24(4)20(16)26)28-17(12)18(25)21-10-15(23(2)3)13-6-8-14(27-5)9-7-13/h6-9,11,15H,10H2,1-5H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55413345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).