6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine

C12H12F3N5 — CID 80855579

IUPAC6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2c(F)cc(F)cc2F)nc(N)n1
InChIInChI=1S/C12H12F3N5/c1-2-17-9-5-10(20-12(16)19-9)18-11-7(14)3-6(13)4-8(11)15/h3-5H,2H2,1H3,(H4,16,17,18,19,20)
InChIKeyMXTILDDGUOMSCH-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.65
Rot. Bonds4

About 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine (PubChem CID 80855579) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine
PubChem CID80855579
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2c(F)cc(F)cc2F)nc(N)n1
InChIInChI=1S/C12H12F3N5/c1-2-17-9-5-10(20-12(16)19-9)18-11-7(14)3-6(13)4-8(11)15/h3-5H,2H2,1H3,(H4,16,17,18,19,20)
InChIKeyMXTILDDGUOMSCH-UHFFFAOYSA-N
XLogP2.65
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80855581
4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80797550
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768233
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-ethoxy-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80855808
6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80855507

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine (CID 80855579) is 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine is CCNc1cc(Nc2c(F)cc(F)cc2F)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine?
The InChIKey is MXTILDDGUOMSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c1-2-17-9-5-10(20-12(16)19-9)18-11-7(14)3-6(13)4-8(11)15/h3-5H,2H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine has a molecular weight of 283.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80855579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).