4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine

C10H17ClN4S — CID 154118421

IUPAC4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCC(C)Sc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C10H17ClN4S/c1-5-7(4)16-10-14-8(11)13-9(15-10)12-6(2)3/h6-7H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyYUXSQNWSVYROGE-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.24
Rot. Bonds5

About 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine

4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 154118421) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID154118421
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCC(C)Sc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C10H17ClN4S/c1-5-7(4)16-10-14-8(11)13-9(15-10)12-6(2)3/h6-7H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyYUXSQNWSVYROGE-UHFFFAOYSA-N
XLogP3.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine (CID 154118421) is 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine is CCC(C)Sc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is YUXSQNWSVYROGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-5-7(4)16-10-14-8(11)13-9(15-10)12-6(2)3/h6-7H,5H2,1-4H3,(H,12,13,14,15).
What are the key properties of 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine?
4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 260.79 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 154118421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).