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

C16H18F3N3O — CID 52679211

IUPACN-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCOCc1ccccc1CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N3O/c1-2-9-23-11-13-6-4-3-5-12(13)10-21-15-20-8-7-14(22-15)16(17,18)19/h3-8H,2,9-11H2,1H3,(H,20,21,22)
InChIKeyOSXWENHGKWVGFP-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.03
Rot. Bonds7

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

N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 52679211) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID52679211
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCOCc1ccccc1CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N3O/c1-2-9-23-11-13-6-4-3-5-12(13)10-21-15-20-8-7-14(22-15)16(17,18)19/h3-8H,2,9-11H2,1H3,(H,20,21,22)
InChIKeyOSXWENHGKWVGFP-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-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

(16E)-19-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739949
(16E)-14-methyl-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 56946378
14,19-Dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-10-amine
CID 73348266
US9205085, Msx-208
CID 58757234
4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-propan-2-ylpyrimidin-2-amine
CID 68325419
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-5-propylpyrimidin-2-amine
CID 68325432
N-(2-fluoro-4-morpholin-2-ylphenyl)-5-propylpyrimidin-2-amine
CID 68325434
N-[4-[(2R)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 68325548
5-ethyl-N-(2-fluoro-4-morpholin-2-ylphenyl)pyrimidin-2-amine
CID 68325597
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 68325656
5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325698
N-[4-[(2R)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 68325710

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 52679211) is N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CCCOCc1ccccc1CNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OSXWENHGKWVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-2-9-23-11-13-6-4-3-5-12(13)10-21-15-20-8-7-14(22-15)16(17,18)19/h3-8H,2,9-11H2,1H3,(H,20,21,22).
What are the key properties of N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 325.33 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propoxymethyl)phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 52679211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).