4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone

C95H95N15O4 — CID 159108900

IUPAC4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2ccnc(Nc3ccccc3)c2)cc1C(=O)N1CCCCC1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)N2CCCCC2)cc1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)NC2CCCCC2)cc1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H26N4O.C24H20N4O.C24H25N3O.C23H24N4O/c2*1-17-16-25-24(27-21-10-6-3-7-11-21)28-22(17)18-12-14-19(15-13-18)23(29)26-20-8-4-2-5-9-20;1-18-10-11-19(16-22(18)24(28)27-14-6-3-7-15-27)20-12-13-25-23(17-20)26-21-8-4-2-5-9-21;1-17-16-24-23(25-20-8-4-2-5-9-20)26-21(17)18-10-12-19(13-11-18)22(28)27-14-6-3-7-15-27/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,26,29)(H,25,27,28);2-16H,1H3,(H,26,29)(H,25,27,28);2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,25,26);2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,25,26)
InChIKeyKEFSCAJBWFTAOT-UHFFFAOYSA-N
MW1510.91 g/mol
LogP20.95
Rot. Bonds18

About 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone

4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone (PubChem CID 159108900) has the molecular formula C95H95N15O4 and a molecular weight of 1510.91 g/mol. Its IUPAC name is 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone
PubChem CID159108900
Molecular FormulaC95H95N15O4
Molecular Weight1510.91 g/mol
Exact Mass1509.77
IUPAC Name4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2ccnc(Nc3ccccc3)c2)cc1C(=O)N1CCCCC1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)N2CCCCC2)cc1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)NC2CCCCC2)cc1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H26N4O.C24H20N4O.C24H25N3O.C23H24N4O/c2*1-17-16-25-24(27-21-10-6-3-7-11-21)28-22(17)18-12-14-19(15-13-18)23(29)26-20-8-4-2-5-9-20;1-18-10-11-19(16-22(18)24(28)27-14-6-3-7-15-27)20-12-13-25-23(17-20)26-21-8-4-2-5-9-21;1-17-16-24-23(25-20-8-4-2-5-9-20)26-21(17)18-10-12-19(13-11-18)22(28)27-14-6-3-7-15-27/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,26,29)(H,25,27,28);2-16H,1H3,(H,26,29)(H,25,27,28);2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,25,26);2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,25,26)
InChIKeyKEFSCAJBWFTAOT-UHFFFAOYSA-N
XLogP20.95
TPSA237.17 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001510.91
LogP ≤ 520.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone?
The IUPAC name of 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone (CID 159108900) is 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone is Cc1ccc(-c2ccnc(Nc3ccccc3)c2)cc1C(=O)N1CCCCC1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)N2CCCCC2)cc1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)NC2CCCCC2)cc1.Cc1cnc(Nc2ccccc2)nc1-c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone?
The InChIKey is KEFSCAJBWFTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O.C24H20N4O.C24H25N3O.C23H24N4O/c2*1-17-16-25-24(27-21-10-6-3-7-11-21)28-22(17)18-12-14-19(15-13-18)23(29)26-20-8-4-2-5-9-20;1-18-10-11-19(16-22(18)24(28)27-14-6-3-7-15-27)20-12-13-25-23(17-20)26-21-8-4-2-5-9-21;1-17-16-24-23(25-20-8-4-2-5-9-20)26-21(17)18-10-12-19(13-11-18)22(28)27-14-6-3-7-15-27/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,26,29)(H,25,27,28);2-16H,1H3,(H,26,29)(H,25,27,28);2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,25,26);2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,25,26).
What are the key properties of 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone?
4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone has a molecular weight of 1510.91 g/mol, XLogP of 20.95, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-5-methylpyrimidin-4-yl)-N-cyclohexylbenzamide;4-(2-anilino-5-methylpyrimidin-4-yl)-N-phenylbenzamide;[4-(2-anilino-5-methylpyrimidin-4-yl)phenyl]-piperidin-1-ylmethanone;[5-(2-anilino-4-pyridinyl)-2-methylphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159108900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).