N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine

C11H14F3N3O2 — CID 106774573

IUPACN-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OC2CCOC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-2-15-8-5-9(19-7-3-4-18-6-7)17-10(16-8)11(12,13)14/h5,7H,2-4,6H2,1H3,(H,15,16,17)
InChIKeyNIKSWVZTAFNKRS-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.09
Rot. Bonds4

About N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774573) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774573
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(OC2CCOC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-2-15-8-5-9(19-7-3-4-18-6-7)17-10(16-8)11(12,13)14/h5,7H,2-4,6H2,1H3,(H,15,16,17)
InChIKeyNIKSWVZTAFNKRS-UHFFFAOYSA-N
XLogP2.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772042
N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80873271
N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80942154
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247
2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608853
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773598
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774573) is N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(OC2CCOC2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NIKSWVZTAFNKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-2-15-8-5-9(19-7-3-4-18-6-7)17-10(16-8)11(12,13)14/h5,7H,2-4,6H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).