4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine

C11H18N4S2 — CID 139963048

IUPAC4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(NC2CC2)nc(SC(C)(C)C)n1
InChIInChI=1S/C11H18N4S2/c1-11(2,3)17-10-14-8(12-7-5-6-7)13-9(15-10)16-4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyOJBNRCPPVDXISK-UHFFFAOYSA-N
MW270.43 g/mol
LogP3.06
Rot. Bonds4

About 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine

4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 139963048) has the molecular formula C11H18N4S2 and a molecular weight of 270.43 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID139963048
Molecular FormulaC11H18N4S2
Molecular Weight270.43 g/mol
Exact Mass270.10
IUPAC Name4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(NC2CC2)nc(SC(C)(C)C)n1
InChIInChI=1S/C11H18N4S2/c1-11(2,3)17-10-14-8(12-7-5-6-7)13-9(15-10)16-4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyOJBNRCPPVDXISK-UHFFFAOYSA-N
XLogP3.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 101029019
2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 12979265
2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 22929223
4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 13241553
4-N,6-N-dicyclopentyl-5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
CID 15603071
N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine
CID 167281211
4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80887039
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 163594071
6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872056
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80888350

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 139963048) is 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(NC2CC2)nc(SC(C)(C)C)n1.
What is the InChIKey of 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is OJBNRCPPVDXISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S2/c1-11(2,3)17-10-14-8(12-7-5-6-7)13-9(15-10)16-4/h7H,5-6H2,1-4H3,(H,12,13,14,15).
What are the key properties of 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 270.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 139963048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).