4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine

C15H19FN4 — CID 80934393

IUPAC4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(N(CC)c2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4/c1-4-13-18-14(17-3)10-15(19-13)20(5-2)12-8-6-7-11(16)9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyLOPKHDUQHPOWSI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.38
Rot. Bonds5

About 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine

4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80934393) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80934393
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(N(CC)c2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4/c1-4-13-18-14(17-3)10-15(19-13)20(5-2)12-8-6-7-11(16)9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyLOPKHDUQHPOWSI-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N,2-diethyl-4-N-(4-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935117
N,2-diethyl-6-hydrazinyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80937279
2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657942
6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
CID 62480942
2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80792799
6-N-ethyl-4-N-(3-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942361
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
6-ethoxy-2-N-ethyl-2-N-(3-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80792211
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204
N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine
CID 62282854
4-N,2-diethyl-6-N-methyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80941500
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935782

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80934393) is 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(N(CC)c2cccc(F)c2)n1.
What is the InChIKey of 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LOPKHDUQHPOWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-13-18-14(17-3)10-15(19-13)20(5-2)12-8-6-7-11(16)9-12/h6-10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).