5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine

C29H33FN8O3 — CID 158357613

IUPAC5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
SMILESCOc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.Fc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1
InChIInChI=1S/C15H18N4O2.C14H15FN4O/c1-20-13-8-17-15(18-9-13)19-12-4-2-11(3-5-12)14-10-16-6-7-21-14;15-11-7-17-14(18-8-11)19-12-3-1-10(2-4-12)13-9-16-5-6-20-13/h2-5,8-9,14,16H,6-7,10H2,1H3,(H,17,18,19);1-4,7-8,13,16H,5-6,9H2,(H,17,18,19)/t14-;13-/m11/s1
InChIKeyGTBOMBMUTJOGLV-YHDDXKOVSA-N
MW560.63 g/mol
LogP3.91
Rot. Bonds7

About 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine

5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 158357613) has the molecular formula C29H33FN8O3 and a molecular weight of 560.63 g/mol. Its IUPAC name is 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
PubChem CID158357613
Molecular FormulaC29H33FN8O3
Molecular Weight560.63 g/mol
Exact Mass560.27
IUPAC Name5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
SMILESCOc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.Fc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1
InChIInChI=1S/C15H18N4O2.C14H15FN4O/c1-20-13-8-17-15(18-9-13)19-12-4-2-11(3-5-12)14-10-16-6-7-21-14;15-11-7-17-14(18-8-11)19-12-3-1-10(2-4-12)13-9-16-5-6-20-13/h2-5,8-9,14,16H,6-7,10H2,1H3,(H,17,18,19);1-4,7-8,13,16H,5-6,9H2,(H,17,18,19)/t14-;13-/m11/s1
InChIKeyGTBOMBMUTJOGLV-YHDDXKOVSA-N
XLogP3.91
TPSA127.37 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.63
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

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
2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine
CID 174489062
8-(2,6-difluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175011011
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
6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazin-2-amine
CID 86766846
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
CID 157218899
N-(2-chloro-4-morpholin-2-ylphenyl)-5-[5-(1-fluoroethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine
CID 77467298
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
2-[3-(3-methoxyphenyl)phenyl]morpholine
CID 82092915
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of 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) is 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine is COc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.Fc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.
What is the InChIKey of 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine?
The InChIKey is GTBOMBMUTJOGLV-YHDDXKOVSA-N. The full InChI is InChI=1S/C15H18N4O2.C14H15FN4O/c1-20-13-8-17-15(18-9-13)19-12-4-2-11(3-5-12)14-10-16-6-7-21-14;15-11-7-17-14(18-8-11)19-12-3-1-10(2-4-12)13-9-16-5-6-20-13/h2-5,8-9,14,16H,6-7,10H2,1H3,(H,17,18,19);1-4,7-8,13,16H,5-6,9H2,(H,17,18,19)/t14-;13-/m11/s1.
What are the key properties of 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine?
5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 560.63 g/mol, XLogP of 3.91, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158357613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).