N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C19H21N3O3S — CID 31236285

IUPACN-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1sc2ncn(C)c(=O)c2c1C
InChIInChI=1S/C19H21N3O3S/c1-13-15-17(20-12-21(2)18(15)23)26-16(13)19(24)22(9-10-25-3)11-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3
InChIKeyCALBIOZDRZCYNC-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.59
Rot. Bonds6

About N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 31236285) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID31236285
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1sc2ncn(C)c(=O)c2c1C
InChIInChI=1S/C19H21N3O3S/c1-13-15-17(20-12-21(2)18(15)23)26-16(13)19(24)22(9-10-25-3)11-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3
InChIKeyCALBIOZDRZCYNC-UHFFFAOYSA-N
XLogP2.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 91652184
N-benzyl-N-(2-methoxyethyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 38700824
ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55478351
3,5-dimethyl-4-oxo-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 38569766
3,5-dimethyl-4-oxo-N-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 87037721
N-(1,3-diphenylpropyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55810563
3-benzyl-N-butyl-N-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110498093
3,5-dimethyl-4-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 134000780
N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31848326
3-benzyl-5-methyl-4-oxo-N,N-bis(prop-2-enyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 110498106
3,5-dimethyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55894125
(3-methoxyphenyl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18168624

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 31236285) is N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is COCCN(Cc1ccccc1)C(=O)c1sc2ncn(C)c(=O)c2c1C.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CALBIOZDRZCYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-15-17(20-12-21(2)18(15)23)26-16(13)19(24)22(9-10-25-3)11-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 31236285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).