N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C17H10Cl2F3N3 — CID 1419469

IUPACN,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H10Cl2F3N3/c18-11-3-1-10(2-4-11)14-9-15(17(20,21)22)25-16(24-14)23-13-7-5-12(19)6-8-13/h1-9H,(H,23,24,25)
InChIKeyYBOKJOWTIFPIMK-UHFFFAOYSA-N
MW384.19 g/mol
LogP6.21
Rot. Bonds3

About N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 1419469) has the molecular formula C17H10Cl2F3N3 and a molecular weight of 384.19 g/mol. Its IUPAC name is N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID1419469
Molecular FormulaC17H10Cl2F3N3
Molecular Weight384.19 g/mol
Exact Mass383.02
IUPAC NameN,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H10Cl2F3N3/c18-11-3-1-10(2-4-11)14-9-15(17(20,21)22)25-16(24-14)23-13-7-5-12(19)6-8-13/h1-9H,(H,23,24,25)
InChIKeyYBOKJOWTIFPIMK-UHFFFAOYSA-N
XLogP6.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.19
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 134095406
4-[[4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 91926804
4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821955
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 57468700
N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563283
N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 550635
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821870
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-chlorophenyl)quinoline-4,6-diamine
CID 22643157
2-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 2231260

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 1419469) is N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YBOKJOWTIFPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3/c18-11-3-1-10(2-4-11)14-9-15(17(20,21)22)25-16(24-14)23-13-7-5-12(19)6-8-13/h1-9H,(H,23,24,25).
What are the key properties of N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 384.19 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 1419469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).