4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine

C8H14N4O — CID 116781889

IUPAC4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine
SMILESCCC(C)(OC)c1ncnc(N)n1
InChIInChI=1S/C8H14N4O/c1-4-8(2,13-3)6-10-5-11-7(9)12-6/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyANWIWVZSBOCAGP-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.73
Rot. Bonds3

About 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine

4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 116781889) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine
PubChem CID116781889
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine
SMILESCCC(C)(OC)c1ncnc(N)n1
InChIInChI=1S/C8H14N4O/c1-4-8(2,13-3)6-10-5-11-7(9)12-6/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyANWIWVZSBOCAGP-UHFFFAOYSA-N
XLogP0.73
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine (CID 116781889) is 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine is CCC(C)(OC)c1ncnc(N)n1.
What is the InChIKey of 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is ANWIWVZSBOCAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4-8(2,13-3)6-10-5-11-7(9)12-6/h5H,4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine?
4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 182.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybutan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 116781889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).