4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C20H19ClFN5O — CID 70702157

IUPAC4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccccc1Cl
InChIInChI=1S/C20H19ClFN5O/c21-16-3-1-2-4-18(16)25-19-17(22)13-23-20(26-19)24-14-5-7-15(8-6-14)27-9-11-28-12-10-27/h1-8,13H,9-12H2,(H2,23,24,25,26)
InChIKeyGGUACUDIPNNWFV-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.59
Rot. Bonds5

About 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 70702157) has the molecular formula C20H19ClFN5O and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID70702157
Molecular FormulaC20H19ClFN5O
Molecular Weight399.86 g/mol
Exact Mass399.13
IUPAC Name4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccccc1Cl
InChIInChI=1S/C20H19ClFN5O/c21-16-3-1-2-4-18(16)25-19-17(22)13-23-20(26-19)24-14-5-7-15(8-6-14)27-9-11-28-12-10-27/h1-8,13H,9-12H2,(H2,23,24,25,26)
InChIKeyGGUACUDIPNNWFV-UHFFFAOYSA-N
XLogP4.59
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.59
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

(R)-5-Chloro-N2-(4-(4-methylpiperazin-1-yl)phenyl)-N4-((tetrahydrofuran-2-yl)methyl)pyrimidine-2,4-diamine
CID 90479825
Bisanilinopyrimidine, 9h
CID 70702155
Bisanilinopyrimidine, 9k
CID 70702158
1-(3-Chloro-4-fluorophenyl)-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70674635
1-(3-Chloro-4-fluorophenyl)-3-[3-[methyl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70675106
N-[3-[[[5-chloro-2-(3-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475754
Bisanilinopyrimidine, 3p
CID 70702128
Bisanilinopyrimidine, 9e
CID 70702152
3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2535882
3-(2-Chlorophenyl)-1-(4-fluorophenyl)-1-[2-(oxan-4-ylamino)pyrimidin-4-yl]urea
CID 11546709
3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]urea
CID 11719217
N-(3-chlorophenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
CID 19689599

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 70702157) is 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccccc1Cl.
What is the InChIKey of 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GGUACUDIPNNWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O/c21-16-3-1-2-4-18(16)25-19-17(22)13-23-20(26-19)24-14-5-7-15(8-6-14)27-9-11-28-12-10-27/h1-8,13H,9-12H2,(H2,23,24,25,26).
What are the key properties of 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 399.86 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 70702157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).