2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide

C9H14ClN5OS — CID 114235169

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCNc1nc(Cl)nc(SCC(=O)NC(C)C)n1
InChIInChI=1S/C9H14ClN5OS/c1-5(2)12-6(16)4-17-9-14-7(10)13-8(11-3)15-9/h5H,4H2,1-3H3,(H,12,16)(H,11,13,14,15)
InChIKeyFDEAKJWJFVALPZ-UHFFFAOYSA-N
MW275.77 g/mol
LogP1.18
Rot. Bonds5

About 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 114235169) has the molecular formula C9H14ClN5OS and a molecular weight of 275.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID114235169
Molecular FormulaC9H14ClN5OS
Molecular Weight275.77 g/mol
Exact Mass275.06
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCNc1nc(Cl)nc(SCC(=O)NC(C)C)n1
InChIInChI=1S/C9H14ClN5OS/c1-5(2)12-6(16)4-17-9-14-7(10)13-8(11-3)15-9/h5H,4H2,1-3H3,(H,12,16)(H,11,13,14,15)
InChIKeyFDEAKJWJFVALPZ-UHFFFAOYSA-N
XLogP1.18
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.77
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-6-chloro-1,3,5-triazin-2-yl) 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 21303862
4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765701
4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80887039
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80891698
methyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80885429
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
CID 80884082
2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 4566438
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7259216
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864568
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 62864218
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009564

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide (CID 114235169) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide is CNc1nc(Cl)nc(SCC(=O)NC(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is FDEAKJWJFVALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5OS/c1-5(2)12-6(16)4-17-9-14-7(10)13-8(11-3)15-9/h5H,4H2,1-3H3,(H,12,16)(H,11,13,14,15).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 275.77 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 114235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).