4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine

C11H14N4O — CID 63868616

IUPAC4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(-c2ccco2)n1
InChIInChI=1S/C11H14N4O/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-4-6-16-7/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyUQRKLCQEYVDWQA-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.01
Rot. Bonds1

About 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 63868616) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine
PubChem CID63868616
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(-c2ccco2)n1
InChIInChI=1S/C11H14N4O/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-4-6-16-7/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyUQRKLCQEYVDWQA-UHFFFAOYSA-N
XLogP2.01
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63869011
4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
CID 65199483
4,6-ditert-butyl-1,3,5-triazin-2-amine
CID 63869153
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
2-(furan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62201956
4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
CID 63868483
2-(furan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025396
4,5,6-trifluoro-2-(furan-2-yl)pyrimidine
CID 164652179
2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
CID 80952417
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
CID 757187
2-(furan-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320056

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine (CID 63868616) is 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(-c2ccco2)n1.
What is the InChIKey of 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is UQRKLCQEYVDWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-4-6-16-7/h4-6H,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).