4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C24H23N3O5S — CID 55453289

IUPAC4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)sc2n1
InChIInChI=1S/C24H23N3O5S/c1-14-20-23(31-4)26-19(13-29-2)27-24(20)33-21(14)22(28)25-15-9-11-16(12-10-15)32-18-8-6-5-7-17(18)30-3/h5-12H,13H2,1-4H3,(H,25,28)
InChIKeyRVZQPUYDMGSFAI-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.21
Rot. Bonds8

About 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55453289) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55453289
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)sc2n1
InChIInChI=1S/C24H23N3O5S/c1-14-20-23(31-4)26-19(13-29-2)27-24(20)33-21(14)22(28)25-15-9-11-16(12-10-15)32-18-8-6-5-7-17(18)30-3/h5-12H,13H2,1-4H3,(H,25,28)
InChIKeyRVZQPUYDMGSFAI-UHFFFAOYSA-N
XLogP5.21
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
N-(4-hydroxy-2-methylphenyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 99810135
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55498148
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-(2-phenylethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451194
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847371
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451515
4-methoxy-2-(methoxymethyl)-5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 154762820
methyl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate
CID 55462191
propan-2-yl 3-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]-3-phenylpropanoate
CID 55463579

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55453289) is 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)Nc3ccc(Oc4ccccc4OC)cc3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RVZQPUYDMGSFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-14-20-23(31-4)26-19(13-29-2)27-24(20)33-21(14)22(28)25-15-9-11-16(12-10-15)32-18-8-6-5-7-17(18)30-3/h5-12H,13H2,1-4H3,(H,25,28).
What are the key properties of 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55453289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).