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

C25H25N3O4S — CID 55847302

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(OCc4ccccc4)c3)sc2n1
InChIInChI=1S/C25H25N3O4S/c1-16-21-24(31-3)27-20(15-30-2)28-25(21)33-22(16)23(29)26-13-18-10-7-11-19(12-18)32-14-17-8-5-4-6-9-17/h4-12H,13-15H2,1-3H3,(H,26,29)
InChIKeyWOMIVFNJCVANBH-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.66
Rot. Bonds9

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

4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55847302) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55847302
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(OCc4ccccc4)c3)sc2n1
InChIInChI=1S/C25H25N3O4S/c1-16-21-24(31-3)27-20(15-30-2)28-25(21)33-22(16)23(29)26-13-18-10-7-11-19(12-18)32-14-17-8-5-4-6-9-17/h4-12H,13-15H2,1-3H3,(H,26,29)
InChIKeyWOMIVFNJCVANBH-UHFFFAOYSA-N
XLogP4.66
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-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
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-(morpholin-4-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55970647
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-[3-(trifluoromethyl)phenoxy]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55855671
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55452613
N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55635921
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55847360
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451194
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55847302) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(OCc4ccccc4)c3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WOMIVFNJCVANBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-16-21-24(31-3)27-20(15-30-2)28-25(21)33-22(16)23(29)26-13-18-10-7-11-19(12-18)32-14-17-8-5-4-6-9-17/h4-12H,13-15H2,1-3H3,(H,26,29).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.66, 9 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-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55847302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).