4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine

C19H14ClF7N4 — CID 87381315

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine
SMILESCC1=NC(N)(c2ccc(Cl)c(C(F)(F)F)c2)C(N)=C(c2ccc(C(F)(F)F)cc2F)N1
InChIInChI=1S/C19H14ClF7N4/c1-8-30-15(11-4-2-10(7-14(11)21)18(22,23)24)16(28)17(29,31-8)9-3-5-13(20)12(6-9)19(25,26)27/h2-7H,28-29H2,1H3,(H,30,31)
InChIKeyHRUGOIGQPOAWNH-UHFFFAOYSA-N
MW466.79 g/mol
LogP4.98
Rot. Bonds2

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine

4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine (PubChem CID 87381315) has the molecular formula C19H14ClF7N4 and a molecular weight of 466.79 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine
PubChem CID87381315
Molecular FormulaC19H14ClF7N4
Molecular Weight466.79 g/mol
Exact Mass466.08
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine
SMILESCC1=NC(N)(c2ccc(Cl)c(C(F)(F)F)c2)C(N)=C(c2ccc(C(F)(F)F)cc2F)N1
InChIInChI=1S/C19H14ClF7N4/c1-8-30-15(11-4-2-10(7-14(11)21)18(22,23)24)16(28)17(29,31-8)9-3-5-13(20)12(6-9)19(25,26)27/h2-7H,28-29H2,1H3,(H,30,31)
InChIKeyHRUGOIGQPOAWNH-UHFFFAOYSA-N
XLogP4.98
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.79
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine (CID 87381315) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine is CC1=NC(N)(c2ccc(Cl)c(C(F)(F)F)c2)C(N)=C(c2ccc(C(F)(F)F)cc2F)N1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine?
The InChIKey is HRUGOIGQPOAWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF7N4/c1-8-30-15(11-4-2-10(7-14(11)21)18(22,23)24)16(28)17(29,31-8)9-3-5-13(20)12(6-9)19(25,26)27/h2-7H,28-29H2,1H3,(H,30,31).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine?
4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine has a molecular weight of 466.79 g/mol, XLogP of 4.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-1H-pyrimidine-4,5-diamine is sourced from PubChem (CID 87381315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).