N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide

C13H16N6OS — CID 80864660

IUPACN-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H16N6OS/c1-8(20)15-9-4-6-10(7-5-9)21-13-17-11(14)16-12(18-13)19(2)3/h4-7H,1-3H3,(H,15,20)(H2,14,16,17,18)
InChIKeyMJYABIZLFMVCSO-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.63
Rot. Bonds4

About N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide

N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide (PubChem CID 80864660) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide
PubChem CID80864660
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H16N6OS/c1-8(20)15-9-4-6-10(7-5-9)21-13-17-11(14)16-12(18-13)19(2)3/h4-7H,1-3H3,(H,15,20)(H2,14,16,17,18)
InChIKeyMJYABIZLFMVCSO-UHFFFAOYSA-N
XLogP1.63
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591
N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide
CID 40882562
2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80884427
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 79825462
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80892824
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80921163
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
CID 62910785
N-[4-[8-[3-(dimethylamino)propoxy]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 141054100
N-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide (CID 80864660) is N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(Sc2nc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide?
The InChIKey is MJYABIZLFMVCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-8(20)15-9-4-6-10(7-5-9)21-13-17-11(14)16-12(18-13)19(2)3/h4-7H,1-3H3,(H,15,20)(H2,14,16,17,18).
What are the key properties of N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide?
N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide is sourced from PubChem (CID 80864660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).