2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine

C20H21FN4 — CID 767373

IUPAC2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ncc(F)c(Nc3ccc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C20H21FN4/c1-12-5-7-17(14(3)9-12)23-19-16(21)11-22-20(25-19)24-18-8-6-13(2)10-15(18)4/h5-11H,1-4H3,(H2,22,23,24,25)
InChIKeyRKCSEXIHMPENAW-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.34
Rot. Bonds4

About 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine

2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 767373) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID767373
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ncc(F)c(Nc3ccc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C20H21FN4/c1-12-5-7-17(14(3)9-12)23-19-16(21)11-22-20(25-19)24-18-8-6-13(2)10-15(18)4/h5-11H,1-4H3,(H2,22,23,24,25)
InChIKeyRKCSEXIHMPENAW-UHFFFAOYSA-N
XLogP5.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-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

Related Compounds

2-N,4-N-bis(2,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 802949
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine
CID 116648838
4-N-(2-fluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80754909
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
4-[[5-fluoro-2-(4-hydroxy-3-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 22060693
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824444
N-[2-[[5-fluoro-2-[2-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 22060597
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine (CID 767373) is 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine is Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)cc3C)n2)c(C)c1.
What is the InChIKey of 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is RKCSEXIHMPENAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-12-5-7-17(14(3)9-12)23-19-16(21)11-22-20(25-19)24-18-8-6-13(2)10-15(18)4/h5-11H,1-4H3,(H2,22,23,24,25).
What are the key properties of 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine?
2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 336.41 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 767373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).