N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine

C12H18F3N3O — CID 58115777

IUPACN-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCCN(C)c1ncc(C(F)(F)F)c(C(C)C)n1
InChIInChI=1S/C12H18F3N3O/c1-8(2)10-9(12(13,14)15)7-16-11(17-10)18(3)5-6-19-4/h7-8H,5-6H2,1-4H3
InChIKeyHRZKPLLXWUCLGI-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.70
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine

N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 58115777) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID58115777
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCCN(C)c1ncc(C(F)(F)F)c(C(C)C)n1
InChIInChI=1S/C12H18F3N3O/c1-8(2)10-9(12(13,14)15)7-16-11(17-10)18(3)5-6-19-4/h7-8H,5-6H2,1-4H3
InChIKeyHRZKPLLXWUCLGI-UHFFFAOYSA-N
XLogP2.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 58115777) is N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine is COCCN(C)c1ncc(C(F)(F)F)c(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HRZKPLLXWUCLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-8(2)10-9(12(13,14)15)7-16-11(17-10)18(3)5-6-19-4/h7-8H,5-6H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 58115777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).