5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine

C12H12F2N4 — CID 44531191

IUPAC5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)
InChIKeyIXNAWEINAFMZFK-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.15
Rot. Bonds2

About 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine

5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine (PubChem CID 44531191) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine
PubChem CID44531191
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)
InChIKeyIXNAWEINAFMZFK-UHFFFAOYSA-N
XLogP2.15
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine (CID 44531191) is 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine?
The InChIKey is IXNAWEINAFMZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine?
5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 44531191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).