N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide

C17H20N4O2S — CID 46276390

IUPACN-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1nc(SC)ncc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H20N4O2S/c1-4-5-15-14(10-18-17(21-15)24-3)16(23)20-13-8-6-12(7-9-13)19-11(2)22/h6-10H,4-5H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLETWXAHFARUULS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.36
Rot. Bonds6

About N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide

N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide (PubChem CID 46276390) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
PubChem CID46276390
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1nc(SC)ncc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H20N4O2S/c1-4-5-15-14(10-18-17(21-15)24-3)16(23)20-13-8-6-12(7-9-13)19-11(2)22/h6-10H,4-5H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLETWXAHFARUULS-UHFFFAOYSA-N
XLogP3.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913835
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913801
methyl 4-[(4-chloro-2-methylsulfanylpyrimidine-5-carbonyl)amino]benzoate
CID 18858809
N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913797
N-(1,3-benzodioxol-5-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913568
4-ethyl-2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyrimidine-5-carboxamide
CID 20913799
N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 91453117
4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 168914380
4-(ethylamino)-6-methyl-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
CID 81237833
ethyl 4-[(4-fluorophenyl)carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 20913925
7-methyl-2-methylsulfanyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 16585067
5-bromo-2-methylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 17014128

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide (CID 46276390) is N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide is CCCc1nc(SC)ncc1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The InChIKey is LETWXAHFARUULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-4-5-15-14(10-18-17(21-15)24-3)16(23)20-13-8-6-12(7-9-13)19-11(2)22/h6-10H,4-5H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 46276390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).