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

C11H6Cl2F3N3 — CID 154454877

IUPACN-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H6Cl2F3N3/c12-6-1-2-7(13)8(5-6)18-10-17-4-3-9(19-10)11(14,15)16/h1-5H,(H,17,18,19)
InChIKeyXFGJYCQSBFGQRP-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.55
Rot. Bonds2

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

N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 154454877) has the molecular formula C11H6Cl2F3N3 and a molecular weight of 308.09 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID154454877
Molecular FormulaC11H6Cl2F3N3
Molecular Weight308.09 g/mol
Exact Mass306.99
IUPAC NameN-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H6Cl2F3N3/c12-6-1-2-7(13)8(5-6)18-10-17-4-3-9(19-10)11(14,15)16/h1-5H,(H,17,18,19)
InChIKeyXFGJYCQSBFGQRP-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 154454877) is N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XFGJYCQSBFGQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3/c12-6-1-2-7(13)8(5-6)18-10-17-4-3-9(19-10)11(14,15)16/h1-5H,(H,17,18,19).
What are the key properties of N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 308.09 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 154454877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).