N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine

C11H16F3N3O — CID 80654868

IUPACN-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(COC(C)C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-4-15-9-5-7(2)16-10(17-9)6-18-8(3)11(12,13)14/h5,8H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyKRMLNSPRDSIIAK-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.68
Rot. Bonds5

About N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine

N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine (PubChem CID 80654868) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
PubChem CID80654868
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(COC(C)C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-4-15-9-5-7(2)16-10(17-9)6-18-8(3)11(12,13)14/h5,8H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyKRMLNSPRDSIIAK-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine (CID 80654868) is N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine is CCNc1cc(C)nc(COC(C)C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine?
The InChIKey is KRMLNSPRDSIIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-15-9-5-7(2)16-10(17-9)6-18-8(3)11(12,13)14/h5,8H,4,6H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine?
N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 80654868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).