6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C13H13F3N4 — CID 10062289

IUPAC6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N4/c1-2-9-10(11(17)20-12(18)19-9)7-4-3-5-8(6-7)13(14,15)16/h3-6H,2H2,1H3,(H4,17,18,19,20)
InChIKeyDYAHKDPVDTXKAT-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.89
Rot. Bonds2

About 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 10062289) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID10062289
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N4/c1-2-9-10(11(17)20-12(18)19-9)7-4-3-5-8(6-7)13(14,15)16/h3-6H,2H2,1H3,(H4,17,18,19,20)
InChIKeyDYAHKDPVDTXKAT-UHFFFAOYSA-N
XLogP2.89
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 10062289) is 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is DYAHKDPVDTXKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-2-9-10(11(17)20-12(18)19-9)7-4-3-5-8(6-7)13(14,15)16/h3-6H,2H2,1H3,(H4,17,18,19,20).
What are the key properties of 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 282.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10062289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).