4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H17F3N4O — CID 114564719

IUPAC4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCOCC(C)Nc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C11H17F3N4O/c1-4-19-6-7(2)16-9-5-8(11(12,13)14)17-10(15-3)18-9/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeySJKJVOHTRDPLDN-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.37
Rot. Bonds6

About 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564719) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564719
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCOCC(C)Nc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C11H17F3N4O/c1-4-19-6-7(2)16-9-5-8(11(12,13)14)17-10(15-3)18-9/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeySJKJVOHTRDPLDN-UHFFFAOYSA-N
XLogP2.37
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564720
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
2-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565854
2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565904
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565253
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
2-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565229

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564719) is 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCOCC(C)Nc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is SJKJVOHTRDPLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-4-19-6-7(2)16-9-5-8(11(12,13)14)17-10(15-3)18-9/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 278.28 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).