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

C26H27N3O4S — CID 55847371

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCCc3ccc(OCc4ccccc4)cc3)sc2n1
InChIInChI=1S/C26H27N3O4S/c1-17-22-25(32-3)28-21(16-31-2)29-26(22)34-23(17)24(30)27-14-13-18-9-11-20(12-10-18)33-15-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,27,30)
InChIKeyDQZQITCTHPYWHS-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.71
Rot. Bonds10

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

4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55847371) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55847371
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCCc3ccc(OCc4ccccc4)cc3)sc2n1
InChIInChI=1S/C26H27N3O4S/c1-17-22-25(32-3)28-21(16-31-2)29-26(22)34-23(17)24(30)27-14-13-18-9-11-20(12-10-18)33-15-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,27,30)
InChIKeyDQZQITCTHPYWHS-UHFFFAOYSA-N
XLogP4.71
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847302
4-methoxy-2-(methoxymethyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55853752
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509
N-[2-(diethylamino)-3-phenylpropyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55635921
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
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55721609
N-(3-indol-1-ylpropyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134061820
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-[(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55546001

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55847371) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCCc3ccc(OCc4ccccc4)cc3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DQZQITCTHPYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-17-22-25(32-3)28-21(16-31-2)29-26(22)34-23(17)24(30)27-14-13-18-9-11-20(12-10-18)33-15-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,27,30).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.71, 10 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-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55847371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).