N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C10H14F3N3O — CID 80942434

IUPACN,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C10H14F3N3O/c1-3-7-15-8(14-4-2)5-9(16-7)17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyBVXLQKAHNSSIFE-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.41
Rot. Bonds5

About N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80942434) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80942434
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C10H14F3N3O/c1-3-7-15-8(14-4-2)5-9(16-7)17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyBVXLQKAHNSSIFE-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942175
6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
CID 80941264
6-[3-(dimethylamino)propoxy]-N,2-diethylpyrimidin-4-amine
CID 80941359
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
6-[2-(dimethylamino)-2-methylpropoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80937326
6-[(4-bromophenyl)methoxy]-N,2-diethylpyrimidin-4-amine
CID 82825534
N,2-diethyl-6-[2-(3-methoxypropoxy)ethoxy]pyrimidin-4-amine
CID 103176424
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
CID 80942333
2-tert-butyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80956887
N,2-diethyl-6-(oxolan-3-ylmethoxy)pyrimidin-4-amine
CID 80941165

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80942434) is N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCNc1cc(OCC(F)(F)F)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is BVXLQKAHNSSIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-7-15-8(14-4-2)5-9(16-7)17-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80942434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).