N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide

C15H18ClN5OS — CID 21232483

IUPACN-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc(N)cc(N)n1)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H18ClN5OS/c1-3-11(23-15-20-12(17)7-13(18)21-15)14(22)19-10-6-4-5-9(16)8(10)2/h4-7,11H,3H2,1-2H3,(H,19,22)(H4,17,18,20,21)
InChIKeyWRFKPUBWGIRSSG-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.11
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide

N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide (PubChem CID 21232483) has the molecular formula C15H18ClN5OS and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
PubChem CID21232483
Molecular FormulaC15H18ClN5OS
Molecular Weight351.86 g/mol
Exact Mass351.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc(N)cc(N)n1)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H18ClN5OS/c1-3-11(23-15-20-12(17)7-13(18)21-15)14(22)19-10-6-4-5-9(16)8(10)2/h4-7,11H,3H2,1-2H3,(H,19,22)(H4,17,18,20,21)
InChIKeyWRFKPUBWGIRSSG-UHFFFAOYSA-N
XLogP3.11
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 21233629
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)butanamide
CID 23858516
(2S)-N-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 7345794
N-(3-chloro-2-methylphenyl)-2-cyclohexylsulfanylbutanamide
CID 21232482
N-(3-chloro-2-methylphenyl)-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]butanamide
CID 23942419
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 17017883
4-[1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl]sulfanyl-3-phenyloxadiazol-3-ium-5-olate
CID 53292525
N-[3-[1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906268
ethyl (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoate
CID 864590
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 23886306
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide
CID 23858334

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide (CID 21232483) is N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide is CCC(Sc1nc(N)cc(N)n1)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide?
The InChIKey is WRFKPUBWGIRSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5OS/c1-3-11(23-15-20-12(17)7-13(18)21-15)14(22)19-10-6-4-5-9(16)8(10)2/h4-7,11H,3H2,1-2H3,(H,19,22)(H4,17,18,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide?
N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide has a molecular weight of 351.86 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 21232483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).