5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C11H9F3N4 — CID 10610924

IUPAC5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)c(N)n1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)7-3-1-6(2-4-7)8-5-17-10(16)18-9(8)15/h1-5H,(H4,15,16,17,18)
InChIKeyYSOKIORMXTXAGR-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.33
Rot. Bonds1

About 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 10610924) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID10610924
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)c(N)n1
InChIInChI=1S/C11H9F3N4/c12-11(13,14)7-3-1-6(2-4-7)8-5-17-10(16)18-9(8)15/h1-5H,(H4,15,16,17,18)
InChIKeyYSOKIORMXTXAGR-UHFFFAOYSA-N
XLogP2.33
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
5-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 69059021
5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine
CID 140523370
5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 69056314
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
5-(3-amino-4-chlorophenyl)pyrimidine-2,4-diamine
CID 54443676
2-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine;hydrochloride
CID 121300182
5-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119003597
6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 87405942
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 91442502
4-[4-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 143047757

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 10610924) is 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(N)n1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is YSOKIORMXTXAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c12-11(13,14)7-3-1-6(2-4-7)8-5-17-10(16)18-9(8)15/h1-5H,(H4,15,16,17,18).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 254.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10610924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).