N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine

C14H14F3N3O — CID 80866351

IUPACN-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C14H14F3N3O/c1-2-7-18-12-8-13(20-9-19-12)21-11-5-3-10(4-6-11)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H,18,19,20)
InChIKeyYKVIHPJFVZLNMD-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.11
Rot. Bonds5

About N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine

N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine (PubChem CID 80866351) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
PubChem CID80866351
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C14H14F3N3O/c1-2-7-18-12-8-13(20-9-19-12)21-11-5-3-10(4-6-11)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H,18,19,20)
InChIKeyYKVIHPJFVZLNMD-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propyl-6-[4-(trifluoromethyl)phenoxy]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]pyridin-2-amine
CID 80866499
[6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80918117
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
CID 80874772
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358
6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80863993
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80862607
6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The IUPAC name of N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine (CID 80866351) is N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine is CCCNc1cc(Oc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
The InChIKey is YKVIHPJFVZLNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-7-18-12-8-13(20-9-19-12)21-11-5-3-10(4-6-11)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H,18,19,20).
What are the key properties of N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine?
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine has a molecular weight of 297.28 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80866351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).