4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C20H18F3N5O — CID 127034835

IUPAC4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cccc(N3CCOCC3)c2)nc1Nc1c(F)cccc1F
InChIInChI=1S/C20H18F3N5O/c21-15-5-2-6-16(22)18(15)26-19-17(23)12-24-20(27-19)25-13-3-1-4-14(11-13)28-7-9-29-10-8-28/h1-6,11-12H,7-10H2,(H2,24,25,26,27)
InChIKeyZNQWJLREBSRVBU-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.22
Rot. Bonds5

About 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 127034835) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID127034835
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2cccc(N3CCOCC3)c2)nc1Nc1c(F)cccc1F
InChIInChI=1S/C20H18F3N5O/c21-15-5-2-6-16(22)18(15)26-19-17(23)12-24-20(27-19)25-13-3-1-4-14(11-13)28-7-9-29-10-8-28/h1-6,11-12H,7-10H2,(H2,24,25,26,27)
InChIKeyZNQWJLREBSRVBU-UHFFFAOYSA-N
XLogP4.22
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-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

Bisanilinopyrimidine, 9h
CID 70702155
Bisanilinopyrimidine, 9j
CID 70702157
Bisanilinopyrimidine, 9k
CID 70702158
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
2-((4-Morpholin-4-ylphenyl)amino)-4-((2,3,6-trifluorobenzyl)amino)pyrimidine-5-carboxamide
CID 10321901
2-(4-Morpholin-4-ylanilino)-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 44561163
2-[4-(Morpholino)anilino]-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine
CID 11315446
N2-(3,5-dimorpholinophenyl)-N4-methyl-N4-phenylpyrimidine-2,4-diamine
CID 25014762
N2-(4-fluorophenyl)-N4-phenyl-N6-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 46913817
Bisanilinopyrimidine, 6l
CID 70702141

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 127034835) is 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Fc1cnc(Nc2cccc(N3CCOCC3)c2)nc1Nc1c(F)cccc1F.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZNQWJLREBSRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-15-5-2-6-16(22)18(15)26-19-17(23)12-24-20(27-19)25-13-3-1-4-14(11-13)28-7-9-29-10-8-28/h1-6,11-12H,7-10H2,(H2,24,25,26,27).
What are the key properties of 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 401.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 127034835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).