N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine

C17H20F3N3O — CID 174526965

IUPACN,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine
SMILESCCCN(CCC)c1cncnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O/c1-3-8-23(9-4-2)15-11-21-12-22-16(15)13-6-5-7-14(10-13)24-17(18,19)20/h5-7,10-12H,3-4,8-9H2,1-2H3
InChIKeyBOCVEMCECVLMDT-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.67
Rot. Bonds7

About N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine

N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine (PubChem CID 174526965) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine
PubChem CID174526965
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine
SMILESCCCN(CCC)c1cncnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O/c1-3-8-23(9-4-2)15-11-21-12-22-16(15)13-6-5-7-14(10-13)24-17(18,19)20/h5-7,10-12H,3-4,8-9H2,1-2H3
InChIKeyBOCVEMCECVLMDT-UHFFFAOYSA-N
XLogP4.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-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

3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
4-chloro-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carbaldehyde
CID 79079025
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine?
The IUPAC name of N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine (CID 174526965) is N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine.
What is the SMILES notation for N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine?
The canonical SMILES for N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine is CCCN(CCC)c1cncnc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine?
The InChIKey is BOCVEMCECVLMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-3-8-23(9-4-2)15-11-21-12-22-16(15)13-6-5-7-14(10-13)24-17(18,19)20/h5-7,10-12H,3-4,8-9H2,1-2H3.
What are the key properties of N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine?
N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine has a molecular weight of 339.36 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-[3-(trifluoromethoxy)phenyl]pyrimidin-5-amine is sourced from PubChem (CID 174526965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).