4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N3O2 — CID 3255159

IUPAC4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(Oc2cc(C(F)(F)F)nc(N(C)C)n2)cc1
InChIInChI=1S/C14H14F3N3O2/c1-20(2)13-18-11(14(15,16)17)8-12(19-13)22-10-6-4-9(21-3)5-7-10/h4-8H,1-3H3
InChIKeyJYUQQNLQPMXQTG-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.36
Rot. Bonds4

About 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 3255159) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID3255159
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(Oc2cc(C(F)(F)F)nc(N(C)C)n2)cc1
InChIInChI=1S/C14H14F3N3O2/c1-20(2)13-18-11(14(15,16)17)8-12(19-13)22-10-6-4-9(21-3)5-7-10/h4-8H,1-3H3
InChIKeyJYUQQNLQPMXQTG-UHFFFAOYSA-N
XLogP3.36
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 3255159) is 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(Oc2cc(C(F)(F)F)nc(N(C)C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JYUQQNLQPMXQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-20(2)13-18-11(14(15,16)17)8-12(19-13)22-10-6-4-9(21-3)5-7-10/h4-8H,1-3H3.
What are the key properties of 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 313.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 3255159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).