4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine

C15H20N6S — CID 155554462

IUPAC4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(CSc3ccccc3)n2)CC1
InChIInChI=1S/C15H20N6S/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-22-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19)
InChIKeyBLSFBNPNIDSZLC-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.50
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine

4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 155554462) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID155554462
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(CSc3ccccc3)n2)CC1
InChIInChI=1S/C15H20N6S/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-22-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19)
InChIKeyBLSFBNPNIDSZLC-UHFFFAOYSA-N
XLogP1.50
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 155554462) is 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(CSc3ccccc3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is BLSFBNPNIDSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-22-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 316.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 155554462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).