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

C22H24N4O5S — CID 55869198

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)sc2n1
InChIInChI=1S/C22H24N4O5S/c1-13-17-20(30-3)24-16(12-29-2)25-21(17)32-18(13)19(27)23-15-6-4-5-14(11-15)22(28)26-7-9-31-10-8-26/h4-6,11H,7-10,12H2,1-3H3,(H,23,27)
InChIKeySBEMPFOFBWXTJW-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.88
Rot. Bonds6

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

4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55869198) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55869198
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)sc2n1
InChIInChI=1S/C22H24N4O5S/c1-13-17-20(30-3)24-16(12-29-2)25-21(17)32-18(13)19(27)23-15-6-4-5-14(11-15)22(28)26-7-9-31-10-8-26/h4-6,11H,7-10,12H2,1-3H3,(H,23,27)
InChIKeySBEMPFOFBWXTJW-UHFFFAOYSA-N
XLogP2.88
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55564769
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-[1-(pyridine-4-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847583
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-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 17410371
4-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55573855
4-fluoro-3-(methoxymethyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55749165
N-(4-hydroxy-2-methylphenyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 99810135
4-methoxy-2-(methoxymethyl)-N-[4-(2-methoxyphenoxy)phenyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55453289
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55837983
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55844007
4-methoxy-2-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55588509

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55869198) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SBEMPFOFBWXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-13-17-20(30-3)24-16(12-29-2)25-21(17)32-18(13)19(27)23-15-6-4-5-14(11-15)22(28)26-7-9-31-10-8-26/h4-6,11H,7-10,12H2,1-3H3,(H,23,27).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55869198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).