2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine

C20H23FN6 — CID 22060718

IUPAC2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
SMILESCN(C)c1ccc(Nc2ncc(F)c(Nc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C20H23FN6/c1-26(2)16-9-5-14(6-10-16)23-19-18(21)13-22-20(25-19)24-15-7-11-17(12-8-15)27(3)4/h5-13H,1-4H3,(H2,22,23,24,25)
InChIKeyIROJAPSIONUTNJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.23
Rot. Bonds6

About 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine

2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 22060718) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
PubChem CID22060718
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
SMILESCN(C)c1ccc(Nc2ncc(F)c(Nc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C20H23FN6/c1-26(2)16-9-5-14(6-10-16)23-19-18(21)13-22-20(25-19)24-15-7-11-17(12-8-15)27(3)4/h5-13H,1-4H3,(H2,22,23,24,25)
InChIKeyIROJAPSIONUTNJ-UHFFFAOYSA-N
XLogP4.23
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
5-bromo-2-N-[4-(dimethylamino)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 11668111
4-[[5-fluoro-2-(4-fluoroanilino)pyrimidin-4-yl]amino]phenol
CID 90489150
2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine
CID 61147087
5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
4-[[2-(4-carboxyanilino)-5-fluoropyrimidin-4-yl]amino]benzoic acid
CID 22060467
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763314
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
1-N-(5-iodopyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 116648876
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine (CID 22060718) is 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine is CN(C)c1ccc(Nc2ncc(F)c(Nc3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is IROJAPSIONUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c1-26(2)16-9-5-14(6-10-16)23-19-18(21)13-22-20(25-19)24-15-7-11-17(12-8-15)27(3)4/h5-13H,1-4H3,(H2,22,23,24,25).
What are the key properties of 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine?
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 366.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 22060718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).