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

C14H14F3N3O — CID 66328025

IUPAC6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C14H14F3N3O/c1-2-21-13-7-12(19-9-20-13)18-8-10-3-5-11(6-4-10)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19,20)
InChIKeyBKTYLRHRIGAWGM-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.51
Rot. Bonds5

About 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 66328025) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID66328025
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C14H14F3N3O/c1-2-21-13-7-12(19-9-20-13)18-8-10-3-5-11(6-4-10)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19,20)
InChIKeyBKTYLRHRIGAWGM-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

Analyze 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327797
6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 134116375
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114111488
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327229

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 66328025) is 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is CCOc1cc(NCc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is BKTYLRHRIGAWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-21-13-7-12(19-9-20-13)18-8-10-3-5-11(6-4-10)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19,20).
What are the key properties of 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-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 6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 66328025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).