4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H15F3N4O — CID 114564202

IUPAC4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(c1cc(C(F)(F)F)nc(N)n1)C1CCOCC1
InChIInChI=1S/C11H15F3N4O/c1-18(7-2-4-19-5-3-7)9-6-8(11(12,13)14)16-10(15)17-9/h6-7H,2-5H2,1H3,(H2,15,16,17)
InChIKeyVXYFBMVTUMKJRE-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.69
Rot. Bonds2

About 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564202) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564202
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(c1cc(C(F)(F)F)nc(N)n1)C1CCOCC1
InChIInChI=1S/C11H15F3N4O/c1-18(7-2-4-19-5-3-7)9-6-8(11(12,13)14)16-10(15)17-9/h6-7H,2-5H2,1H3,(H2,15,16,17)
InChIKeyVXYFBMVTUMKJRE-UHFFFAOYSA-N
XLogP1.69
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564202) is 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(c1cc(C(F)(F)F)nc(N)n1)C1CCOCC1.
What is the InChIKey of 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VXYFBMVTUMKJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-18(7-2-4-19-5-3-7)9-6-8(11(12,13)14)16-10(15)17-9/h6-7H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 276.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).