4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine

C14H18N4S — CID 66097202

IUPAC4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1SCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C14H18N4S/c1-9(2)13-16-12(17-14(15)18-13)8-19-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyHBXCZNJIHQIIRC-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.18
Rot. Bonds4

About 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine

4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 66097202) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID66097202
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1ccccc1SCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C14H18N4S/c1-9(2)13-16-12(17-14(15)18-13)8-19-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyHBXCZNJIHQIIRC-UHFFFAOYSA-N
XLogP3.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine (CID 66097202) is 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine is Cc1ccccc1SCc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is HBXCZNJIHQIIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9(2)13-16-12(17-14(15)18-13)8-19-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 274.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66097202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).