N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide

C17H21N3O3S — CID 20913835

IUPACN-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1nc(SC)ncc1C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H21N3O3S/c1-5-6-15-14(10-18-17(20-15)24-4)16(21)19-11-7-12(22-2)9-13(8-11)23-3/h7-10H,5-6H2,1-4H3,(H,19,21)
InChIKeyMHNNZTKRZVILEP-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.42
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide

N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide (PubChem CID 20913835) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
PubChem CID20913835
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
SMILESCCCc1nc(SC)ncc1C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H21N3O3S/c1-5-6-15-14(10-18-17(20-15)24-4)16(21)19-11-7-12(22-2)9-13(8-11)23-3/h7-10H,5-6H2,1-4H3,(H,19,21)
InChIKeyMHNNZTKRZVILEP-UHFFFAOYSA-N
XLogP3.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913797
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913801
[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
CID 42039480
4-chloro-N-(2,5-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 18858718
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
methyl 4-[(4-chloro-2-methylsulfanylpyrimidine-5-carbonyl)amino]benzoate
CID 18858809
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
ethyl 4-amino-2-[(2S)-1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 92742761
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913648

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide (CID 20913835) is N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide is CCCc1nc(SC)ncc1C(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
The InChIKey is MHNNZTKRZVILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-5-6-15-14(10-18-17(20-15)24-4)16(21)19-11-7-12(22-2)9-13(8-11)23-3/h7-10H,5-6H2,1-4H3,(H,19,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide?
N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).