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

C44H50Cl2N12O4 — CID 158155601

IUPAC5-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
SMILESCCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1.Clc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1.Clc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1
InChIInChI=1S/C16H20N4O2.2C14H15ClN4O/c1-2-21-14-9-18-16(19-10-14)20-13-5-3-12(4-6-13)15-11-17-7-8-22-15;2*15-11-7-17-14(18-8-11)19-12-3-1-10(2-4-12)13-9-16-5-6-20-13/h3-6,9-10,15,17H,2,7-8,11H2,1H3,(H,18,19,20);2*1-4,7-8,13,16H,5-6,9H2,(H,17,18,19)/t15-;2*13-/m010/s1
InChIKeyFVQKZBPGXDZHTF-RBDBXWLXSA-N
MW881.87 g/mol
LogP7.35
Rot. Bonds11

About 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

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 (PubChem CID 158155601) has the molecular formula C44H50Cl2N12O4 and a molecular weight of 881.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158155601
Molecular FormulaC44H50Cl2N12O4
Molecular Weight881.87 g/mol
Exact Mass880.35
IUPAC Name5-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
SMILESCCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1.Clc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1.Clc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1
InChIInChI=1S/C16H20N4O2.2C14H15ClN4O/c1-2-21-14-9-18-16(19-10-14)20-13-5-3-12(4-6-13)15-11-17-7-8-22-15;2*15-11-7-17-14(18-8-11)19-12-3-1-10(2-4-12)13-9-16-5-6-20-13/h3-6,9-10,15,17H,2,7-8,11H2,1H3,(H,18,19,20);2*1-4,7-8,13,16H,5-6,9H2,(H,17,18,19)/t15-;2*13-/m010/s1
InChIKeyFVQKZBPGXDZHTF-RBDBXWLXSA-N
XLogP7.35
TPSA186.44 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500881.87
LogP ≤ 57.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
CID 157218899
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
CID 147052117
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
6-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazin-2-amine
CID 86766846
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047252
2-N-cyclopropyl-5-fluoro-4-N-(4-morpholin-2-ylphenyl)pyrimidine-2,4-diamine
CID 174489062
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1.Clc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1.Clc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.
What is the InChIKey of 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?
The InChIKey is FVQKZBPGXDZHTF-RBDBXWLXSA-N. The full InChI is InChI=1S/C16H20N4O2.2C14H15ClN4O/c1-2-21-14-9-18-16(19-10-14)20-13-5-3-12(4-6-13)15-11-17-7-8-22-15;2*15-11-7-17-14(18-8-11)19-12-3-1-10(2-4-12)13-9-16-5-6-20-13/h3-6,9-10,15,17H,2,7-8,11H2,1H3,(H,18,19,20);2*1-4,7-8,13,16H,5-6,9H2,(H,17,18,19)/t15-;2*13-/m010/s1.
What are the key properties of 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?
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 has a molecular weight of 881.87 g/mol, XLogP of 7.35, 11 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158155601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).