4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine

C10H12F3N3O — CID 114566627

IUPAC4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESC=C(C)CCOc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H12F3N3O/c1-6(2)3-4-17-8-5-7(10(11,12)13)15-9(14)16-8/h5H,1,3-4H2,2H3,(H2,14,15,16)
InChIKeyRQCFWUNXTMEQQX-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.42
Rot. Bonds4

About 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566627) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566627
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESC=C(C)CCOc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H12F3N3O/c1-6(2)3-4-17-8-5-7(10(11,12)13)15-9(14)16-8/h5H,1,3-4H2,2H3,(H2,14,15,16)
InChIKeyRQCFWUNXTMEQQX-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4,4-trifluorobutoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566585
ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 67833415
4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566154
4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566550
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566419
2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471242
2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
CID 145361055
2-methyl-6-(3-methylbut-3-enoxy)pyridine-4-carbonitrile
CID 114766998
4-(4-bromo-3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 107727377
4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566211
4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566565
N-[[4-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]methyl]-3-methylbutanamide
CID 176786442

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566627) is 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine is C=C(C)CCOc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RQCFWUNXTMEQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6(2)3-4-17-8-5-7(10(11,12)13)15-9(14)16-8/h5H,1,3-4H2,2H3,(H2,14,15,16).
What are the key properties of 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 247.22 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).