N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

C15H16F3N3 — CID 63987510

IUPACN-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1)c1ccncn1
InChIInChI=1S/C15H16F3N3/c1-2-8-20-14(13-7-9-19-10-21-13)11-3-5-12(6-4-11)15(16,17)18/h3-7,9-10,14,20H,2,8H2,1H3
InChIKeyUVUBJUJCZAATCF-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.58
Rot. Bonds5

About N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 63987510) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID63987510
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1)c1ccncn1
InChIInChI=1S/C15H16F3N3/c1-2-8-20-14(13-7-9-19-10-21-13)11-3-5-12(6-4-11)15(16,17)18/h3-7,9-10,14,20H,2,8H2,1H3
InChIKeyUVUBJUJCZAATCF-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-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-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65360853
N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 79698289
N-[thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105142581
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
N-[(4-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61330841
N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 82887724
N-[(2,3-dichlorophenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 63987505
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 113327036
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
N-[(4-bromo-3-chloro-2-fluorophenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 106762527

Frequently Asked Questions

What is the IUPAC name of N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 63987510) is N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccc(C(F)(F)F)cc1)c1ccncn1.
What is the InChIKey of N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is UVUBJUJCZAATCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-2-8-20-14(13-7-9-19-10-21-13)11-3-5-12(6-4-11)15(16,17)18/h3-7,9-10,14,20H,2,8H2,1H3.
What are the key properties of N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 295.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63987510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).