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

C20H23N3O4S — CID 55588509

IUPAC4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3ccccc3COC)sc2n1
InChIInChI=1S/C20H23N3O4S/c1-12-16-19(27-4)22-15(11-26-3)23-20(16)28-17(12)18(24)21-9-13-7-5-6-8-14(13)10-25-2/h5-8H,9-11H2,1-4H3,(H,21,24)
InChIKeyDLWDFUOBKKBYLT-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.23
Rot. Bonds8

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

4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55588509) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55588509
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3ccccc3COC)sc2n1
InChIInChI=1S/C20H23N3O4S/c1-12-16-19(27-4)22-15(11-26-3)23-20(16)28-17(12)18(24)21-9-13-7-5-6-8-14(13)10-25-2/h5-8H,9-11H2,1-4H3,(H,21,24)
InChIKeyDLWDFUOBKKBYLT-UHFFFAOYSA-N
XLogP3.23
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-2-(methoxymethyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55853752
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
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-[(3-phenylmethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847302
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-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134061802
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
N-(3-indol-1-ylpropyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134061820
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-[2-(4-phenylmethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847371
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)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 55588509) is 4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCc3ccccc3COC)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DLWDFUOBKKBYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-12-16-19(27-4)22-15(11-26-3)23-20(16)28-17(12)18(24)21-9-13-7-5-6-8-14(13)10-25-2/h5-8H,9-11H2,1-4H3,(H,21,24).
What are the key properties of 4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.23, 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)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55588509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).