4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

C15H19ClN4S — CID 63402476

IUPAC4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H19ClN4S/c1-15(2,3)10-6-8-11(9-7-10)21-14-18-12(16)17-13(19-14)20(4)5/h6-9H,1-5H3
InChIKeyOTWNLUBHUKCXDM-UHFFFAOYSA-N
MW322.87 g/mol
LogP4.04
Rot. Bonds3

About 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 63402476) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID63402476
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Sc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H19ClN4S/c1-15(2,3)10-6-8-11(9-7-10)21-14-18-12(16)17-13(19-14)20(4)5/h6-9H,1-5H3
InChIKeyOTWNLUBHUKCXDM-UHFFFAOYSA-N
XLogP4.04
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 63402476) is 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Sc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is OTWNLUBHUKCXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c1-15(2,3)10-6-8-11(9-7-10)21-14-18-12(16)17-13(19-14)20(4)5/h6-9H,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 322.87 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63402476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).