N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide

C15H16ClN3O2S — CID 20913797

IUPACN-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCc1nc(SC)ncc1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H16ClN3O2S/c1-4-11-10(8-17-15(19-11)22-3)14(20)18-12-7-9(16)5-6-13(12)21-2/h5-8H,4H2,1-3H3,(H,18,20)
InChIKeyFRVVFRJJWMYQHL-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.68
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913797) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913797
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCc1nc(SC)ncc1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H16ClN3O2S/c1-4-11-10(8-17-15(19-11)22-3)14(20)18-12-7-9(16)5-6-13(12)21-2/h5-8H,4H2,1-3H3,(H,18,20)
InChIKeyFRVVFRJJWMYQHL-UHFFFAOYSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 18858718
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913801
4-amino-N-(5-chloro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81233986
N-(5-chloro-2-methoxyphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237297
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913648
N-(5-chloro-2-methoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237296
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237098
N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913797) is N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide is CCc1nc(SC)ncc1C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is FRVVFRJJWMYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-4-11-10(8-17-15(19-11)22-3)14(20)18-12-7-9(16)5-6-13(12)21-2/h5-8H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 337.83 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).