2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone

C103H110N16O4 — CID 158131909

IUPAC2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone
SMILESCC1(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)CCNCC1.CN1CCC(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)CC1.CN1CCC(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)c2ccccc21.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc(CC2CCNCC2)nc1
InChIInChI=1S/C29H28N4O.2C25H28N4O.C24H26N4O/c1-33-14-13-22(25-9-5-6-10-27(25)33)17-29-31-18-24(19-32-29)28(34)16-23-15-21(11-12-26(23)30)20-7-3-2-4-8-20;1-29-11-9-18(10-12-29)13-25-27-16-22(17-28-25)24(30)15-21-14-20(7-8-23(21)26)19-5-3-2-4-6-19;1-25(9-11-27-12-10-25)15-24-28-16-21(17-29-24)23(30)14-20-13-19(7-8-22(20)26)18-5-3-2-4-6-18;25-22-7-6-19(18-4-2-1-3-5-18)13-20(22)14-23(29)21-15-27-24(28-16-21)12-17-8-10-26-11-9-17/h2-12,15,18-19,22H,13-14,16-17,30H2,1H3;2-8,14,16-18H,9-13,15,26H2,1H3;2-8,13,16-17,27H,9-12,14-15,26H2,1H3;1-7,13,15-17,26H,8-12,14,25H2
InChIKeyFSWMVWDUWFNDES-UHFFFAOYSA-N
MW1636.12 g/mol
LogP17.13
Rot. Bonds24

About 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone

2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone (PubChem CID 158131909) has the molecular formula C103H110N16O4 and a molecular weight of 1636.12 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone
PubChem CID158131909
Molecular FormulaC103H110N16O4
Molecular Weight1636.12 g/mol
Exact Mass1634.89
IUPAC Name2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone
SMILESCC1(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)CCNCC1.CN1CCC(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)CC1.CN1CCC(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)c2ccccc21.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc(CC2CCNCC2)nc1
InChIInChI=1S/C29H28N4O.2C25H28N4O.C24H26N4O/c1-33-14-13-22(25-9-5-6-10-27(25)33)17-29-31-18-24(19-32-29)28(34)16-23-15-21(11-12-26(23)30)20-7-3-2-4-8-20;1-29-11-9-18(10-12-29)13-25-27-16-22(17-28-25)24(30)15-21-14-20(7-8-23(21)26)19-5-3-2-4-6-19;1-25(9-11-27-12-10-25)15-24-28-16-21(17-29-24)23(30)14-20-13-19(7-8-22(20)26)18-5-3-2-4-6-18;25-22-7-6-19(18-4-2-1-3-5-18)13-20(22)14-23(29)21-15-27-24(28-16-21)12-17-8-10-26-11-9-17/h2-12,15,18-19,22H,13-14,16-17,30H2,1H3;2-8,14,16-18H,9-13,15,26H2,1H3;2-8,13,16-17,27H,9-12,14-15,26H2,1H3;1-7,13,15-17,26H,8-12,14,25H2
InChIKeyFSWMVWDUWFNDES-UHFFFAOYSA-N
XLogP17.13
TPSA306.02 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001636.12
LogP ≤ 517.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone?
The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone (CID 158131909) is 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone is CC1(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)CCNCC1.CN1CCC(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)CC1.CN1CCC(Cc2ncc(C(=O)Cc3cc(-c4ccccc4)ccc3N)cn2)c2ccccc21.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc(CC2CCNCC2)nc1.
What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone?
The InChIKey is FSWMVWDUWFNDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O.2C25H28N4O.C24H26N4O/c1-33-14-13-22(25-9-5-6-10-27(25)33)17-29-31-18-24(19-32-29)28(34)16-23-15-21(11-12-26(23)30)20-7-3-2-4-8-20;1-29-11-9-18(10-12-29)13-25-27-16-22(17-28-25)24(30)15-21-14-20(7-8-23(21)26)19-5-3-2-4-6-19;1-25(9-11-27-12-10-25)15-24-28-16-21(17-29-24)23(30)14-20-13-19(7-8-22(20)26)18-5-3-2-4-6-18;25-22-7-6-19(18-4-2-1-3-5-18)13-20(22)14-23(29)21-15-27-24(28-16-21)12-17-8-10-26-11-9-17/h2-12,15,18-19,22H,13-14,16-17,30H2,1H3;2-8,14,16-18H,9-13,15,26H2,1H3;2-8,13,16-17,27H,9-12,14-15,26H2,1H3;1-7,13,15-17,26H,8-12,14,25H2.
What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone?
2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone has a molecular weight of 1636.12 g/mol, XLogP of 17.13, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenylphenyl)-1-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(1-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(piperidin-4-ylmethyl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 158131909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).