4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C13H23N5S — CID 56986750

IUPAC4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NC(C)CC(C)C)nc(NC2CC2)n1
InChIInChI=1S/C13H23N5S/c1-8(2)7-9(3)14-11-16-12(15-10-5-6-10)18-13(17-11)19-4/h8-10H,5-7H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyXEMAIGBFMOLVBZ-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.01
Rot. Bonds7

About 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 56986750) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID56986750
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NC(C)CC(C)C)nc(NC2CC2)n1
InChIInChI=1S/C13H23N5S/c1-8(2)7-9(3)14-11-16-12(15-10-5-6-10)18-13(17-11)19-4/h8-10H,5-7H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyXEMAIGBFMOLVBZ-UHFFFAOYSA-N
XLogP3.01
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 56986750) is 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CSc1nc(NC(C)CC(C)C)nc(NC2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XEMAIGBFMOLVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-8(2)7-9(3)14-11-16-12(15-10-5-6-10)18-13(17-11)19-4/h8-10H,5-7H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56986750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).