4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C13H14F3N3O3S — CID 134061802

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCC(F)(F)F)sc2n1
InChIInChI=1S/C13H14F3N3O3S/c1-6-8-11(22-3)18-7(4-21-2)19-12(8)23-9(6)10(20)17-5-13(14,15)16/h4-5H2,1-3H3,(H,17,20)
InChIKeyNGUXNTQQULWHEE-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.45
Rot. Bonds5

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 134061802) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID134061802
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCC(F)(F)F)sc2n1
InChIInChI=1S/C13H14F3N3O3S/c1-6-8-11(22-3)18-7(4-21-2)19-12(8)23-9(6)10(20)17-5-13(14,15)16/h4-5H2,1-3H3,(H,17,20)
InChIKeyNGUXNTQQULWHEE-UHFFFAOYSA-N
XLogP2.45
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509
4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55725600
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55855671
1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176489
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55694844
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55546001
4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid
CID 119171989
N-(4-hydroxy-2-methylphenyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 99810135
N-(1-cyclopropylpiperidin-4-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 86921687
2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 47154179

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 134061802) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCC(F)(F)F)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NGUXNTQQULWHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-6-8-11(22-3)18-7(4-21-2)19-12(8)23-9(6)10(20)17-5-13(14,15)16/h4-5H2,1-3H3,(H,17,20).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 349.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 134061802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).