4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine

C12H13F2N5 — CID 80797550

IUPAC4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2cccc(F)c2F)nc(N)n1
InChIInChI=1S/C12H13F2N5/c1-2-16-9-6-10(19-12(15)18-9)17-8-5-3-4-7(13)11(8)14/h3-6H,2H2,1H3,(H4,15,16,17,18,19)
InChIKeyOKJFEYWDURZIQZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.51
Rot. Bonds4

About 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine

4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80797550) has the molecular formula C12H13F2N5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80797550
Molecular FormulaC12H13F2N5
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2cccc(F)c2F)nc(N)n1
InChIInChI=1S/C12H13F2N5/c1-2-16-9-6-10(19-12(15)18-9)17-8-5-3-4-7(13)11(8)14/h3-6H,2H2,1H3,(H4,15,16,17,18,19)
InChIKeyOKJFEYWDURZIQZ-UHFFFAOYSA-N
XLogP2.51
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954438
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584
2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80962039
4-N-[2-(difluoromethoxy)phenyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80729422
6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine
CID 80855579
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
CID 80814736
6-N-(2,3-difluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80798545
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine (CID 80797550) is 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(Nc2cccc(F)c2F)nc(N)n1.
What is the InChIKey of 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is OKJFEYWDURZIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5/c1-2-16-9-6-10(19-12(15)18-9)17-8-5-3-4-7(13)11(8)14/h3-6H,2H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 265.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-difluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80797550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).