4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide

C16H20N4O2S — CID 120591213

IUPAC4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Sc2ncccn2)cc1C
InChIInChI=1S/C16H20N4O2S/c1-11-8-13(23-16-18-6-3-7-19-16)4-5-14(11)20-15(21)9-12(10-17)22-2/h3-8,12H,9-10,17H2,1-2H3,(H,20,21)
InChIKeyULJUFZBOBKPAPE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.24
Rot. Bonds7

About 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide

4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide (PubChem CID 120591213) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide
PubChem CID120591213
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Sc2ncccn2)cc1C
InChIInChI=1S/C16H20N4O2S/c1-11-8-13(23-16-18-6-3-7-19-16)4-5-14(11)20-15(21)9-12(10-17)22-2/h3-8,12H,9-10,17H2,1-2H3,(H,20,21)
InChIKeyULJUFZBOBKPAPE-UHFFFAOYSA-N
XLogP2.24
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
CID 120590312
4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120590794
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-prop-2-enylurea
CID 60620266
4-amino-3-methoxy-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 103155628
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554771
(1S)-2,2-dichloro-1-methyl-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 52532467
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60620217
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554681
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660
1-[1-(4-chlorophenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554553
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554484

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide (CID 120591213) is 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide is COC(CN)CC(=O)Nc1ccc(Sc2ncccn2)cc1C.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide?
The InChIKey is ULJUFZBOBKPAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-8-13(23-16-18-6-3-7-19-16)4-5-14(11)20-15(21)9-12(10-17)22-2/h3-8,12H,9-10,17H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide?
4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide has a molecular weight of 332.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide is sourced from PubChem (CID 120591213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).