N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine

C10H10F3N3O — CID 106773598

IUPACN-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESC#CCOc1cc(NCC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O/c1-3-5-17-8-6-7(14-4-2)15-9(16-8)10(11,12)13/h1,6H,4-5H2,2H3,(H,14,15,16)
InChIKeyJOFSSZNEYMJPRY-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.94
Rot. Bonds4

About N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773598) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773598
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC NameN-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESC#CCOc1cc(NCC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O/c1-3-5-17-8-6-7(14-4-2)15-9(16-8)10(11,12)13/h1,6H,4-5H2,2H3,(H,14,15,16)
InChIKeyJOFSSZNEYMJPRY-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968951
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80949834
2-tert-butyl-N-ethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80956887
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
6-N-ethyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773598) is N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine is C#CCOc1cc(NCC)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JOFSSZNEYMJPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-3-5-17-8-6-7(14-4-2)15-9(16-8)10(11,12)13/h1,6H,4-5H2,2H3,(H,14,15,16).
What are the key properties of N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 245.20 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).