4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C23H26N4O4S — CID 55451515

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3ccccc3C(=O)N3CCCCC3)sc2n1
InChIInChI=1S/C23H26N4O4S/c1-14-18-21(31-3)25-17(13-30-2)26-22(18)32-19(14)20(28)24-16-10-6-5-9-15(16)23(29)27-11-7-4-8-12-27/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,24,28)
InChIKeyVPWHLWNEMJOQJL-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.03
Rot. Bonds6

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55451515) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55451515
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3ccccc3C(=O)N3CCCCC3)sc2n1
InChIInChI=1S/C23H26N4O4S/c1-14-18-21(31-3)25-17(13-30-2)26-22(18)32-19(14)20(28)24-16-10-6-5-9-15(16)23(29)27-11-7-4-8-12-27/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,24,28)
InChIKeyVPWHLWNEMJOQJL-UHFFFAOYSA-N
XLogP4.03
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.03
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
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-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55869198
4-methoxy-2-(methoxymethyl)-5-methyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
4-methyl-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 112794959
4-methoxy-2-(methoxymethyl)-5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 154762820
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847583
4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
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)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55453289
4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55956972

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55451515) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)Nc3ccccc3C(=O)N3CCCCC3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VPWHLWNEMJOQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-14-18-21(31-3)25-17(13-30-2)26-22(18)32-19(14)20(28)24-16-10-6-5-9-15(16)23(29)27-11-7-4-8-12-27/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,24,28).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 4.03, 6 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-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55451515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).