5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H7Cl2F3N4 — CID 11537089

IUPAC5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2cc(Cl)ccc2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4/c12-4-1-2-6(13)5(3-4)7-8(11(14,15)16)19-10(18)20-9(7)17/h1-3H,(H4,17,18,19,20)
InChIKeySPKBXMZTSMUUSA-UHFFFAOYSA-N
MW323.11 g/mol
LogP3.63
Rot. Bonds1

About 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 11537089) has the molecular formula C11H7Cl2F3N4 and a molecular weight of 323.11 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID11537089
Molecular FormulaC11H7Cl2F3N4
Molecular Weight323.11 g/mol
Exact Mass322.00
IUPAC Name5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2cc(Cl)ccc2Cl)c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4/c12-4-1-2-6(13)5(3-4)7-8(11(14,15)16)19-10(18)20-9(7)17/h1-3H,(H4,17,18,19,20)
InChIKeySPKBXMZTSMUUSA-UHFFFAOYSA-N
XLogP3.63
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 11537089) is 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(-c2cc(Cl)ccc2Cl)c(C(F)(F)F)n1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is SPKBXMZTSMUUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N4/c12-4-1-2-6(13)5(3-4)7-8(11(14,15)16)19-10(18)20-9(7)17/h1-3H,(H4,17,18,19,20).
What are the key properties of 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 323.11 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11537089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).