N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide

C18H20N4OS — CID 9109926

IUPACN,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESCc1ccc(-c2csc3ncnc(N(C)CC(=O)N(C)C)c23)cc1
InChIInChI=1S/C18H20N4OS/c1-12-5-7-13(8-6-12)14-10-24-18-16(14)17(19-11-20-18)22(4)9-15(23)21(2)3/h5-8,10-11H,9H2,1-4H3
InChIKeyYLIQKYHDUXULMS-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.19
Rot. Bonds4

About N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide

N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 9109926) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
PubChem CID9109926
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESCc1ccc(-c2csc3ncnc(N(C)CC(=O)N(C)C)c23)cc1
InChIInChI=1S/C18H20N4OS/c1-12-5-7-13(8-6-12)14-10-24-18-16(14)17(19-11-20-18)22(4)9-15(23)21(2)3/h5-8,10-11H,9H2,1-4H3
InChIKeyYLIQKYHDUXULMS-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide 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

N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 8566197
2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 9195777
ethyl 3-[methyl-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate
CID 110497916
N-methyl-5-(4-methylphenyl)-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 67381989
2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 16553270
2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 122052220
2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 28848805
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 725229
N-methyl-5-phenyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 37144286
N,N-dimethyl-2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 35790255
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid
CID 3471376
N-[4-(dimethylamino)phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 2218750

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide (CID 9109926) is N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide is Cc1ccc(-c2csc3ncnc(N(C)CC(=O)N(C)C)c23)cc1.
What is the InChIKey of N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is YLIQKYHDUXULMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-5-7-13(8-6-12)14-10-24-18-16(14)17(19-11-20-18)22(4)9-15(23)21(2)3/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 9109926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).