4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C12H8Cl2F3N3 — CID 114563172

IUPAC4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2cccc(Cl)c2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8Cl2F3N3/c1-18-11-19-8(5-9(20-11)12(15,16)17)6-3-2-4-7(13)10(6)14/h2-5H,1H3,(H,18,19,20)
InChIKeySKZYSIPSLWPISB-UHFFFAOYSA-N
MW322.12 g/mol
LogP4.51
Rot. Bonds2

About 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563172) has the molecular formula C12H8Cl2F3N3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563172
Molecular FormulaC12H8Cl2F3N3
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2cccc(Cl)c2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8Cl2F3N3/c1-18-11-19-8(5-9(20-11)12(15,16)17)6-3-2-4-7(13)10(6)14/h2-5H,1H3,(H,18,19,20)
InChIKeySKZYSIPSLWPISB-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
4-(2-fluoro-3-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563487
N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide
CID 155549792
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563377
N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563283
[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 91926616
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258
4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563489
2-(2,3-dichlorophenyl)-N-methylpyridin-4-amine
CID 102824600
N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567317
4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563418
4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 39796773

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563172) is 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(-c2cccc(Cl)c2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SKZYSIPSLWPISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3/c1-18-11-19-8(5-9(20-11)12(15,16)17)6-3-2-4-7(13)10(6)14/h2-5H,1H3,(H,18,19,20).
What are the key properties of 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 322.12 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).