4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium

C13H17N4SY- — CID 59879797

IUPAC4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium
SMILESCc1nc(NC(C)c2cccs2)nc([C-](C)C)n1.[Y]
InChIInChI=1S/C13H17N4S.Y/c1-8(2)12-15-10(4)16-13(17-12)14-9(3)11-6-5-7-18-11;/h5-7,9H,1-4H3,(H,14,15,16,17);/q-1;
InChIKeyZHUQQOCDSRHQJU-UHFFFAOYSA-N
MW350.28 g/mol
LogP3.37
Rot. Bonds4

About 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium

4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium (PubChem CID 59879797) has the molecular formula C13H17N4SY- and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium
PubChem CID59879797
Molecular FormulaC13H17N4SY-
Molecular Weight350.28 g/mol
Exact Mass350.02
IUPAC Name4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium
SMILESCc1nc(NC(C)c2cccs2)nc([C-](C)C)n1.[Y]
InChIInChI=1S/C13H17N4S.Y/c1-8(2)12-15-10(4)16-13(17-12)14-9(3)11-6-5-7-18-11;/h5-7,9H,1-4H3,(H,14,15,16,17);/q-1;
InChIKeyZHUQQOCDSRHQJU-UHFFFAOYSA-N
XLogP3.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium with MolForge

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Related Compounds

N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
CID 59879787
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 115354957
6-chloro-4-N-ethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780980
6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62863344
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
6-ethoxy-4-N-methyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781075
1-thiophen-2-ylethylhydrazine
CID 18071025
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43678243
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium?
The IUPAC name of 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium (CID 59879797) is 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium.
What is the SMILES notation for 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium?
The canonical SMILES for 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium is Cc1nc(NC(C)c2cccs2)nc([C-](C)C)n1.[Y].
What is the InChIKey of 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium?
The InChIKey is ZHUQQOCDSRHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N4S.Y/c1-8(2)12-15-10(4)16-13(17-12)14-9(3)11-6-5-7-18-11;/h5-7,9H,1-4H3,(H,14,15,16,17);/q-1;.
What are the key properties of 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium?
4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium has a molecular weight of 350.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine;yttrium is sourced from PubChem (CID 59879797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).