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

C28H28Br2F2N8O2 — CID 159579363

IUPAC5-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
SMILESFc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(Br)cn1.Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(Br)cn1
InChIInChI=1S/2C14H14BrFN4O/c2*15-10-6-18-14(19-7-10)20-12-2-1-9(5-11(12)16)13-8-17-3-4-21-13/h2*1-2,5-7,13,17H,3-4,8H2,(H,18,19,20)/t2*13-/m10/s1
InChIKeyMIUVUAVZLXYLTL-JACLSRQLSA-N
MW706.39 g/mol
LogP5.57
Rot. Bonds6

About 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

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 (PubChem CID 159579363) has the molecular formula C28H28Br2F2N8O2 and a molecular weight of 706.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159579363
Molecular FormulaC28H28Br2F2N8O2
Molecular Weight706.39 g/mol
Exact Mass704.07
IUPAC Name5-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
SMILESFc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(Br)cn1.Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(Br)cn1
InChIInChI=1S/2C14H14BrFN4O/c2*15-10-6-18-14(19-7-10)20-12-2-1-9(5-11(12)16)13-8-17-3-4-21-13/h2*1-2,5-7,13,17H,3-4,8H2,(H,18,19,20)/t2*13-/m10/s1
InChIKeyMIUVUAVZLXYLTL-JACLSRQLSA-N
XLogP5.57
TPSA118.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.39
LogP ≤ 55.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine
CID 77467298
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-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
CID 157218899
2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine
CID 174489062
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722
2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
1-(2-bromo-4-morpholin-2-ylphenyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]urea
CID 71087036
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]aniline;N-(4-chlorophenyl)-4-morpholin-2-ylaniline;N-[4-[(2S)-morpholin-2-yl]phenyl]naphthalen-2-amine
CID 159618728
8-(2,6-difluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175011011

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(Br)cn1.Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(Br)cn1.
What is the InChIKey of 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?
The InChIKey is MIUVUAVZLXYLTL-JACLSRQLSA-N. The full InChI is InChI=1S/2C14H14BrFN4O/c2*15-10-6-18-14(19-7-10)20-12-2-1-9(5-11(12)16)13-8-17-3-4-21-13/h2*1-2,5-7,13,17H,3-4,8H2,(H,18,19,20)/t2*13-/m10/s1.
What are the key properties of 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?
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 has a molecular weight of 706.39 g/mol, XLogP of 5.57, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159579363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).