N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine

C20H20ClFN6O3 — CID 77467298

IUPACN-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine
SMILESCC(F)Oc1cnc(Oc2cnc(Nc3ccc(C4CNCCO4)cc3Cl)nc2)nc1
InChIInChI=1S/C20H20ClFN6O3/c1-12(22)30-14-9-26-20(27-10-14)31-15-7-24-19(25-8-15)28-17-3-2-13(6-16(17)21)18-11-23-4-5-29-18/h2-3,6-10,12,18,23H,4-5,11H2,1H3,(H,24,25,28)
InChIKeyLOZDYSVVPNZHMP-UHFFFAOYSA-N
MW446.87 g/mol
LogP3.81
Rot. Bonds7

About N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine

N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine (PubChem CID 77467298) has the molecular formula C20H20ClFN6O3 and a molecular weight of 446.87 g/mol. Its IUPAC name is N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine
PubChem CID77467298
Molecular FormulaC20H20ClFN6O3
Molecular Weight446.87 g/mol
Exact Mass446.13
IUPAC NameN-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine
SMILESCC(F)Oc1cnc(Oc2cnc(Nc3ccc(C4CNCCO4)cc3Cl)nc2)nc1
InChIInChI=1S/C20H20ClFN6O3/c1-12(22)30-14-9-26-20(27-10-14)31-15-7-24-19(25-8-15)28-17-3-2-13(6-16(17)21)18-11-23-4-5-29-18/h2-3,6-10,12,18,23H,4-5,11H2,1H3,(H,24,25,28)
InChIKeyLOZDYSVVPNZHMP-UHFFFAOYSA-N
XLogP3.81
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine with MolForge

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Related Compounds

5-bromo-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-bromo-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 159579363
5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-ethoxy-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 158155601
5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 158357613
2-(3-chloro-4-propan-2-ylsulfanylphenyl)morpholine
CID 117432500
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
(2R)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 93302393
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 71086894
2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
CID 117454632
2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
CID 157218899
2-(3,4-dimethylphenyl)morpholine
CID 43169342

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine?
The IUPAC name of N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine (CID 77467298) is N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine.
What is the SMILES notation for N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine?
The canonical SMILES for N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine is CC(F)Oc1cnc(Oc2cnc(Nc3ccc(C4CNCCO4)cc3Cl)nc2)nc1.
What is the InChIKey of N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine?
The InChIKey is LOZDYSVVPNZHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O3/c1-12(22)30-14-9-26-20(27-10-14)31-15-7-24-19(25-8-15)28-17-3-2-13(6-16(17)21)18-11-23-4-5-29-18/h2-3,6-10,12,18,23H,4-5,11H2,1H3,(H,24,25,28).
What are the key properties of N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine?
N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine has a molecular weight of 446.87 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine is sourced from PubChem (CID 77467298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).