N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C21H23F2N3O5S — CID 55619209

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3ccc(OC)c(OC(F)F)c3)sc2n1
InChIInChI=1S/C21H23F2N3O5S/c1-11-16-18(30-5)24-15(10-28-3)25-19(16)32-17(11)20(27)26(2)9-12-6-7-13(29-4)14(8-12)31-21(22)23/h6-8,21H,9-10H2,1-5H3
InChIKeyOTFUPZICSXUPIK-UHFFFAOYSA-N
MW467.49 g/mol
LogP4.04
Rot. Bonds9

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55619209) has the molecular formula C21H23F2N3O5S and a molecular weight of 467.49 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55619209
Molecular FormulaC21H23F2N3O5S
Molecular Weight467.49 g/mol
Exact Mass467.13
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3ccc(OC)c(OC(F)F)c3)sc2n1
InChIInChI=1S/C21H23F2N3O5S/c1-11-16-18(30-5)24-15(10-28-3)25-19(16)32-17(11)20(27)26(2)9-12-6-7-13(29-4)14(8-12)31-21(22)23/h6-8,21H,9-10H2,1-5H3
InChIKeyOTFUPZICSXUPIK-UHFFFAOYSA-N
XLogP4.04
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetic acid
CID 119171989
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,4-dimethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818369
4-methoxy-2-(methoxymethyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451203
N-[1-(1-benzofuran-2-yl)ethyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55551599
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55694844
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 84600803
N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 71909813
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78861333
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809759
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847371

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55619209) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)N(C)Cc3ccc(OC)c(OC(F)F)c3)sc2n1.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OTFUPZICSXUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O5S/c1-11-16-18(30-5)24-15(10-28-3)25-19(16)32-17(11)20(27)26(2)9-12-6-7-13(29-4)14(8-12)31-21(22)23/h6-8,21H,9-10H2,1-5H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55619209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).