N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine

C11H16F3N3O — CID 102989343

IUPACN-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCC(C)Oc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C11H16F3N3O/c1-4-5-7(2)18-9-6-8(11(12,13)14)16-10(15-3)17-9/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyCLKAFDRQEZGCCW-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.10
Rot. Bonds5

About N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine

N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 102989343) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID102989343
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCC(C)Oc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C11H16F3N3O/c1-4-5-7(2)18-9-6-8(11(12,13)14)16-10(15-3)17-9/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyCLKAFDRQEZGCCW-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine (CID 102989343) is N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine is CCCC(C)Oc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CLKAFDRQEZGCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-5-7(2)18-9-6-8(11(12,13)14)16-10(15-3)17-9/h6-7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 263.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 102989343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).