4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C12H8Cl2F3N3 — CID 114563203

IUPAC4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2cc(Cl)ccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8Cl2F3N3/c1-18-11-19-9(5-10(20-11)12(15,16)17)7-4-6(13)2-3-8(7)14/h2-5H,1H3,(H,18,19,20)
InChIKeyAHUOMZZCXPQSOE-UHFFFAOYSA-N
MW322.12 g/mol
LogP4.51
Rot. Bonds2

About 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563203) has the molecular formula C12H8Cl2F3N3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563203
Molecular FormulaC12H8Cl2F3N3
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC Name4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2cc(Cl)ccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8Cl2F3N3/c1-18-11-19-9(5-10(20-11)12(15,16)17)7-4-6(13)2-3-8(7)14/h2-5H,1H3,(H,18,19,20)
InChIKeyAHUOMZZCXPQSOE-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563203) is 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(-c2cc(Cl)ccc2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AHUOMZZCXPQSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3/c1-18-11-19-9(5-10(20-11)12(15,16)17)7-4-6(13)2-3-8(7)14/h2-5H,1H3,(H,18,19,20).
What are the key properties of 4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,5-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-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).