N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H22F3N3O — CID 111465916

IUPACN-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)Oc1ccc(CNC2=NCCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O/c1-15(2,3)23-12-6-5-11(13(9-12)16(17,18)19)10-22-14-20-7-4-8-21-14/h5-6,9H,4,7-8,10H2,1-3H3,(H2,20,21,22)
InChIKeyMAVONRPMCZBKTR-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.32
Rot. Bonds3

About N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 111465916) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID111465916
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC NameN-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)Oc1ccc(CNC2=NCCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O/c1-15(2,3)23-12-6-5-11(13(9-12)16(17,18)19)10-22-14-20-7-4-8-21-14/h5-6,9H,4,7-8,10H2,1-3H3,(H2,20,21,22)
InChIKeyMAVONRPMCZBKTR-UHFFFAOYSA-N
XLogP3.32
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-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

N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917962
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112951
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915084
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112950
1-(2-hydroxyethyl)-3-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]urea
CID 111474109
N-[(2,4,5-trimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914310
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110935350
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241988
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 111465916) is N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC(C)(C)Oc1ccc(CNC2=NCCCN2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is MAVONRPMCZBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-15(2,3)23-12-6-5-11(13(9-12)16(17,18)19)10-22-14-20-7-4-8-21-14/h5-6,9H,4,7-8,10H2,1-3H3,(H2,20,21,22).
What are the key properties of N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 329.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 111465916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).