4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide

C111H104ClN19O11 — CID 157382131

IUPAC4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)cc1.COc1cccc(C(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)c1.O=C(Nc1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccccc1O
InChIInChI=1S/C28H25ClN4O2.2C28H27N5O3.C27H25N5O3/c29-23-7-3-22(4-8-23)28(34)31-24-9-5-21(6-10-24)26-13-14-30-27(32-26)19-20-1-11-25(12-2-20)33-15-17-35-18-16-33;1-35-25-12-4-21(5-13-25)27(34)30-22-6-2-20(3-7-22)26-14-15-29-28(32-26)31-23-8-10-24(11-9-23)33-16-18-36-19-17-33;1-35-25-4-2-3-21(19-25)27(34)30-22-7-5-20(6-8-22)26-13-14-29-28(32-26)31-23-9-11-24(12-10-23)33-15-17-36-18-16-33;33-25-4-2-1-3-23(25)26(34)29-20-7-5-19(6-8-20)24-13-14-28-27(31-24)30-21-9-11-22(12-10-21)32-15-17-35-18-16-32/h1-14H,15-19H2,(H,31,34);2-15H,16-19H2,1H3,(H,30,34)(H,29,31,32);2-14,19H,15-18H2,1H3,(H,30,34)(H,29,31,32);1-14,33H,15-18H2,(H,29,34)(H,28,30,31)
InChIKeyBKZVFGWQASKPOO-UHFFFAOYSA-N
MW1915.63 g/mol
LogP20.13
Rot. Bonds26

About 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide

4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide (PubChem CID 157382131) has the molecular formula C111H104ClN19O11 and a molecular weight of 1915.63 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide
PubChem CID157382131
Molecular FormulaC111H104ClN19O11
Molecular Weight1915.63 g/mol
Exact Mass1913.79
IUPAC Name4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)cc1.COc1cccc(C(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)c1.O=C(Nc1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccccc1O
InChIInChI=1S/C28H25ClN4O2.2C28H27N5O3.C27H25N5O3/c29-23-7-3-22(4-8-23)28(34)31-24-9-5-21(6-10-24)26-13-14-30-27(32-26)19-20-1-11-25(12-2-20)33-15-17-35-18-16-33;1-35-25-12-4-21(5-13-25)27(34)30-22-6-2-20(3-7-22)26-14-15-29-28(32-26)31-23-8-10-24(11-9-23)33-16-18-36-19-17-33;1-35-25-4-2-3-21(19-25)27(34)30-22-7-5-20(6-8-22)26-13-14-29-28(32-26)31-23-9-11-24(12-10-23)33-15-17-36-18-16-33;33-25-4-2-1-3-23(25)26(34)29-20-7-5-19(6-8-20)24-13-14-28-27(31-24)30-21-9-11-22(12-10-21)32-15-17-35-18-16-32/h1-14H,15-19H2,(H,31,34);2-15H,16-19H2,1H3,(H,30,34)(H,29,31,32);2-14,19H,15-18H2,1H3,(H,30,34)(H,29,31,32);1-14,33H,15-18H2,(H,29,34)(H,28,30,31)
InChIKeyBKZVFGWQASKPOO-UHFFFAOYSA-N
XLogP20.13
TPSA344.18 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001915.63
LogP ≤ 520.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide (CID 157382131) is 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)cc1.COc1cccc(C(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)c1.O=C(Nc1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccccc1O.
What is the InChIKey of 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide?
The InChIKey is BKZVFGWQASKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O2.2C28H27N5O3.C27H25N5O3/c29-23-7-3-22(4-8-23)28(34)31-24-9-5-21(6-10-24)26-13-14-30-27(32-26)19-20-1-11-25(12-2-20)33-15-17-35-18-16-33;1-35-25-12-4-21(5-13-25)27(34)30-22-6-2-20(3-7-22)26-14-15-29-28(32-26)31-23-8-10-24(11-9-23)33-16-18-36-19-17-33;1-35-25-4-2-3-21(19-25)27(34)30-22-7-5-20(6-8-22)26-13-14-29-28(32-26)31-23-9-11-24(12-10-23)33-15-17-36-18-16-33;33-25-4-2-1-3-23(25)26(34)29-20-7-5-19(6-8-20)24-13-14-28-27(31-24)30-21-9-11-22(12-10-21)32-15-17-35-18-16-32/h1-14H,15-19H2,(H,31,34);2-15H,16-19H2,1H3,(H,30,34)(H,29,31,32);2-14,19H,15-18H2,1H3,(H,30,34)(H,29,31,32);1-14,33H,15-18H2,(H,29,34)(H,28,30,31).
What are the key properties of 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide?
4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide has a molecular weight of 1915.63 g/mol, XLogP of 20.13, 26 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]benzamide;2-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide;4-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 157382131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).