5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C13H12F3N3 — CID 11543542

IUPAC5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H12F3N3/c1-2-9-7-17-12(18-8-9)19-11-5-3-10(4-6-11)13(14,15)16/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyWKDHLHKILVZWHP-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.80
Rot. Bonds3

About 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 11543542) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID11543542
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H12F3N3/c1-2-9-7-17-12(18-8-9)19-11-5-3-10(4-6-11)13(14,15)16/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyWKDHLHKILVZWHP-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 11543542) is 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is CCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is WKDHLHKILVZWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-2-9-7-17-12(18-8-9)19-11-5-3-10(4-6-11)13(14,15)16/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 267.25 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 11543542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).