4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine

C12H12F2N4 — CID 80761337

IUPAC4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N4/c1-2-8-11(15)16-6-17-12(8)18-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyMYTHNVNCQPTQSK-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.64
Rot. Bonds3

About 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine

4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 80761337) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID80761337
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N4/c1-2-8-11(15)16-6-17-12(8)18-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyMYTHNVNCQPTQSK-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(2,4-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19153814
5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80905202
4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139880
4-N-(5-bromo-2-iodophenyl)-5-ethylpyrimidine-4,6-diamine
CID 114261736
2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141212

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine (CID 80761337) is 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccc(F)cc1F.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is MYTHNVNCQPTQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-2-8-11(15)16-6-17-12(8)18-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).