N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine

C17H16N6S2 — CID 146082613

IUPACN-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESc1ccc(Sc2nc(NCC3CC3)nc(Sc3ccccn3)n2)nc1
InChIInChI=1S/C17H16N6S2/c1-3-9-18-13(5-1)24-16-21-15(20-11-12-7-8-12)22-17(23-16)25-14-6-2-4-10-19-14/h1-6,9-10,12H,7-8,11H2,(H,20,21,22,23)
InChIKeyVMTZAZMWXHIFEG-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.79
Rot. Bonds7

About N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine

N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 146082613) has the molecular formula C17H16N6S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID146082613
Molecular FormulaC17H16N6S2
Molecular Weight368.49 g/mol
Exact Mass368.09
IUPAC NameN-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESc1ccc(Sc2nc(NCC3CC3)nc(Sc3ccccn3)n2)nc1
InChIInChI=1S/C17H16N6S2/c1-3-9-18-13(5-1)24-16-21-15(20-11-12-7-8-12)22-17(23-16)25-14-6-2-4-10-19-14/h1-6,9-10,12H,7-8,11H2,(H,20,21,22,23)
InChIKeyVMTZAZMWXHIFEG-UHFFFAOYSA-N
XLogP3.79
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 146082613) is N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine is c1ccc(Sc2nc(NCC3CC3)nc(Sc3ccccn3)n2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is VMTZAZMWXHIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S2/c1-3-9-18-13(5-1)24-16-21-15(20-11-12-7-8-12)22-17(23-16)25-14-6-2-4-10-19-14/h1-6,9-10,12H,7-8,11H2,(H,20,21,22,23).
What are the key properties of N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine?
N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 368.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4,6-bis(pyridin-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 146082613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).