4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C14H14F3N3O — CID 115974989

IUPAC4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-2-21-12-7-8-18-13(20-12)19-9-10-5-3-4-6-11(10)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,19,20)
InChIKeySCFUMEKODALEJJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.51
Rot. Bonds5

About 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 115974989) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID115974989
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-2-21-12-7-8-18-13(20-12)19-9-10-5-3-4-6-11(10)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,19,20)
InChIKeySCFUMEKODALEJJ-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbothioamide
CID 107547347
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 112637981
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
CID 112638883
4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 112636925
2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
4-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-2-amine
CID 103111788

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 115974989) is 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is CCOc1ccnc(NCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is SCFUMEKODALEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-21-12-7-8-18-13(20-12)19-9-10-5-3-4-6-11(10)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,19,20).
What are the key properties of 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 297.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 115974989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).