N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid

C149H149Cl3F3N25O22 — CID 159033717

About N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid

N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid (PubChem CID 159033717) has the molecular formula C149H149Cl3F3N25O22 and a molecular weight of 2805.34 g/mol. Its IUPAC name is N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid.

Molecular Properties

• Compound Name: N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid
• PubChem CID: 159033717
• Molecular Formula: C149H149Cl3F3N25O22
• Molecular Weight: 2805.34 g/mol
• Exact Mass: 2802.03
• IUPAC Name: N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid
• SMILES: CCc1nc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)nc(N(C)C)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)OCc3ccc(C(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)nc(N(C)C)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(Cl)c1CC(N)=O.COCc1nc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)nc(N(C)C)c1CC(=O)O.O=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1Cl
• InChI: InChI=1S/C26H24ClN5O2.C25H29N5O4.C25H28N4O5.C25H28N4O4.C24H17Cl2N3O3.C24H23F3N4O4/c1-32(2)25-21(15-22(28)33)24(27)30-23(31-25)13-16-7-11-20(12-8-16)29-26(34)19-10-9-17-5-3-4-6-18(17)14-19;1-29(2)23-20(15-22(31)32)24(30(3)4)28-21(27-23)14-17-10-12-19(13-11-17)26-25(33)34-16-18-8-6-5-7-9-18;1-29(2)24-20(14-23(30)31)21(16-33-3)27-22(28-24)13-17-9-11-19(12-10-17)26-25(32)34-15-18-7-5-4-6-8-18;1-4-21-20(15-23(30)31)24(29(2)3)28-22(27-21)14-17-10-12-19(13-11-17)26-25(32)33-16-18-8-6-5-7-9-18;25-22-19(13-21(30)31)23(26)29-20(28-22)11-14-5-9-18(10-6-14)27-24(32)17-8-7-15-3-1-2-4-16(15)12-17;1-31(2)22-17(12-21(32)33)13-28-20(30-22)11-15-5-9-19(10-6-15)29-23(34)35-14-16-3-7-18(8-4-16)24(25,26)27/h3-12,14H,13,15H2,1-2H3,(H2,28,33)(H,29,34);5-13H,14-16H2,1-4H3,(H,26,33)(H,31,32);4-12H,13-16H2,1-3H3,(H,26,32)(H,30,31);5-13H,4,14-16H2,1-3H3,(H,26,32)(H,30,31);1-10,12H,11,13H2,(H,27,32)(H,30,31);3-10,13H,11-12,14H2,1-2H3,(H,29,34)(H,32,33)
• InChIKey: JVEVCSMQGRUHKH-UHFFFAOYSA-N
• XLogP: 25.46
• TPSA: 624.46 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 49
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2805.34
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid?

The IUPAC name of N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid (CID 159033717) is N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid.

What is the SMILES notation for N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid?

The canonical SMILES for N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid is CCc1nc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)nc(N(C)C)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)OCc3ccc(C(F)(F)F)cc3)cc2)ncc1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)nc(N(C)C)c1CC(=O)O.CN(C)c1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(Cl)c1CC(N)=O.COCc1nc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)nc(N(C)C)c1CC(=O)O.O=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1Cl.

What is the InChIKey of N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid?

The InChIKey is JVEVCSMQGRUHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2.C25H29N5O4.C25H28N4O5.C25H28N4O4.C24H17Cl2N3O3.C24H23F3N4O4/c1-32(2)25-21(15-22(28)33)24(27)30-23(31-25)13-16-7-11-20(12-8-16)29-26(34)19-10-9-17-5-3-4-6-18(17)14-19;1-29(2)23-20(15-22(31)32)24(30(3)4)28-21(27-23)14-17-10-12-19(13-11-17)26-25(33)34-16-18-8-6-5-7-9-18;1-29(2)24-20(14-23(30)31)21(16-33-3)27-22(28-24)13-17-9-11-19(12-10-17)26-25(32)34-15-18-7-5-4-6-8-18;1-4-21-20(15-23(30)31)24(29(2)3)28-22(27-21)14-17-10-12-19(13-11-17)26-25(32)33-16-18-8-6-5-7-9-18;25-22-19(13-21(30)31)23(26)29-20(28-22)11-14-5-9-18(10-6-14)27-24(32)17-8-7-15-3-1-2-4-16(15)12-17;1-31(2)22-17(12-21(32)33)13-28-20(30-22)11-15-5-9-19(10-6-15)29-23(34)35-14-16-3-7-18(8-4-16)24(25,26)27/h3-12,14H,13,15H2,1-2H3,(H2,28,33)(H,29,34);5-13H,14-16H2,1-4H3,(H,26,33)(H,31,32);4-12H,13-16H2,1-3H3,(H,26,32)(H,30,31);5-13H,4,14-16H2,1-3H3,(H,26,32)(H,30,31);1-10,12H,11,13H2,(H,27,32)(H,30,31);3-10,13H,11-12,14H2,1-2H3,(H,29,34)(H,32,33).

What are the key properties of N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid?

N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid has a molecular weight of 2805.34 g/mol, XLogP of 25.46, 49 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-(2-amino-2-oxoethyl)-4-chloro-6-(dimethylamino)pyrimidin-2-yl]methyl]phenyl]naphthalene-2-carboxamide;2-[4,6-bis(dimethylamino)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-ethyl-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-6-(methoxymethyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid;2-[4-(dimethylamino)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]phenyl]methyl]pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 159033717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).