6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine

C13H12F3N3O2 — CID 106773577

IUPAC6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cccc(COc2cc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H12F3N3O2/c1-20-9-4-2-3-8(5-9)7-21-11-6-10(17)18-12(19-11)13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyRTLPPWFVWPZWCO-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.67
Rot. Bonds4

About 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine

6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773577) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773577
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1cccc(COc2cc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H12F3N3O2/c1-20-9-4-2-3-8(5-9)7-21-11-6-10(17)18-12(19-11)13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19)
InChIKeyRTLPPWFVWPZWCO-UHFFFAOYSA-N
XLogP2.67
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-methoxyphenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965542
6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 80868695
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
2-[(3-methoxyphenyl)methoxy]-1,3-thiazol-5-amine
CID 102769354
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
4-chloro-6-[(3-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
CID 80868697
6-[(3-methoxyphenyl)methoxy]-2-propoxypyridin-3-amine
CID 43262377
6-(3-bromophenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774103
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774322
3-[(3-methoxyphenyl)methoxy]quinoxalin-2-amine
CID 102987596
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773577) is 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine is COc1cccc(COc2cc(N)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RTLPPWFVWPZWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-20-9-4-2-3-8(5-9)7-21-11-6-10(17)18-12(19-11)13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19).
What are the key properties of 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 299.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).