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

C17H18N4OS — CID 8566197

IUPACN-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1ncnc2scc(-c3ccc(C)cc3)c12
InChIInChI=1S/C17H18N4OS/c1-11-4-6-12(7-5-11)13-9-23-17-15(13)16(19-10-20-17)21(3)8-14(22)18-2/h4-7,9-10H,8H2,1-3H3,(H,18,22)
InChIKeyQHIKMLBGJSFWOK-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.85
Rot. Bonds4

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

N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 8566197) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
PubChem CID8566197
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1ncnc2scc(-c3ccc(C)cc3)c12
InChIInChI=1S/C17H18N4OS/c1-11-4-6-12(7-5-11)13-9-23-17-15(13)16(19-10-20-17)21(3)8-14(22)18-2/h4-7,9-10H,8H2,1-3H3,(H,18,22)
InChIKeyQHIKMLBGJSFWOK-UHFFFAOYSA-N
XLogP2.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9109926
2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 9195777
2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 16553270
N-methyl-5-(4-methylphenyl)-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 67381989
ethyl 3-[methyl-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate
CID 110497916
2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 122052220
N-methyl-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 51274519
N-[4-(dimethylamino)phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 2218750
N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483706
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 2659377
N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766
2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 28848805

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide (CID 8566197) is N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide is CNC(=O)CN(C)c1ncnc2scc(-c3ccc(C)cc3)c12.
What is the InChIKey of N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is QHIKMLBGJSFWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-4-6-12(7-5-11)13-9-23-17-15(13)16(19-10-20-17)21(3)8-14(22)18-2/h4-7,9-10H,8H2,1-3H3,(H,18,22).
What are the key properties of N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 326.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 8566197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).