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

C20H20F3N3O4S — CID 55725600

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(OCC(F)(F)F)c3)sc2n1
InChIInChI=1S/C20H20F3N3O4S/c1-11-15-18(29-3)25-14(9-28-2)26-19(15)31-16(11)17(27)24-8-12-5-4-6-13(7-12)30-10-20(21,22)23/h4-7H,8-10H2,1-3H3,(H,24,27)
InChIKeyGLEFNYSGMGSNCJ-UHFFFAOYSA-N
MW455.46 g/mol
LogP4.03
Rot. Bonds8

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

4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55725600) has the molecular formula C20H20F3N3O4S and a molecular weight of 455.46 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55725600
Molecular FormulaC20H20F3N3O4S
Molecular Weight455.46 g/mol
Exact Mass455.11
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(OCC(F)(F)F)c3)sc2n1
InChIInChI=1S/C20H20F3N3O4S/c1-11-15-18(29-3)25-14(9-28-2)26-19(15)31-16(11)17(27)24-8-12-5-4-6-13(7-12)30-10-20(21,22)23/h4-7H,8-10H2,1-3H3,(H,24,27)
InChIKeyGLEFNYSGMGSNCJ-UHFFFAOYSA-N
XLogP4.03
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847302
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55855671
4-methoxy-2-(methoxymethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134061802
4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55970647
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-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55694844
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55853752
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847371
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55847360
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55452613
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55635921

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55725600) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(OCC(F)(F)F)c3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GLEFNYSGMGSNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4S/c1-11-15-18(29-3)25-14(9-28-2)26-19(15)31-16(11)17(27)24-8-12-5-4-6-13(7-12)30-10-20(21,22)23/h4-7H,8-10H2,1-3H3,(H,24,27).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 455.46 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55725600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).