N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide

C15H17N3OS — CID 131942915

IUPACN-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C15H17N3OS/c1-4-20-14-8-6-5-7-12(14)18-15(19)13-9-10(2)16-11(3)17-13/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyTXMVLIAUIRYFKM-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.46
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 131942915) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID131942915
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C15H17N3OS/c1-4-20-14-8-6-5-7-12(14)18-15(19)13-9-10(2)16-11(3)17-13/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyTXMVLIAUIRYFKM-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 110858050
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 131896292
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 155943086
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 131942915) is N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide is CCSc1ccccc1NC(=O)c1cc(C)nc(C)n1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is TXMVLIAUIRYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-4-20-14-8-6-5-7-12(14)18-15(19)13-9-10(2)16-11(3)17-13/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 131942915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).