tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine

C129H120Cl4F4N18O12S — CID 162182365

About tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine

tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine (PubChem CID 162182365) has the molecular formula C129H120Cl4F4N18O12S and a molecular weight of 2364.36 g/mol. Its IUPAC name is tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

• Compound Name: tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine
• PubChem CID: 162182365
• Molecular Formula: C129H120Cl4F4N18O12S
• Molecular Weight: 2364.36 g/mol
• Exact Mass: 2360.77
• IUPAC Name: tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine
• SMILES: CC(=O)N(CC1=C(C)C(c2ccc(F)cc2Cl)NC(c2ccccn2)N1)[C@@H](C)c1ccccc1.CC1=C(CN(C(=O)c2ccccc2)[C@@H](C)c2ccc3ccccc3c2)NC(c2ccccn2)=NC1c1ccc(F)cc1Cl.CC1=C(CN2CCN(S(=O)(=O)c3cccc4c(N(C)C)cccc34)CC2)NC(c2ccccn2)NC1c1ccc(F)cc1Cl.CC1=C(CN[C@@H](C)c2ccc3ccccc3c2)NC(c2ccccn2)=NC1c1ccc(F)cc1Cl.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C36H30ClFN4O.C33H36ClFN6O2S.C29H26ClFN4.C27H28ClFN4O.4CO2/c1-23-33(40-35(32-14-8-9-19-39-32)41-34(23)30-18-17-29(38)21-31(30)37)22-42(36(43)26-11-4-3-5-12-26)24(2)27-16-15-25-10-6-7-13-28(25)20-27;1-22-29(37-33(28-10-4-5-15-36-28)38-32(22)26-14-13-23(35)20-27(26)34)21-40-16-18-41(19-17-40)44(42,43)31-12-7-8-24-25(31)9-6-11-30(24)39(2)3;1-18-27(17-33-19(2)21-11-10-20-7-3-4-8-22(20)15-21)34-29(26-9-5-6-14-32-26)35-28(18)24-13-12-23(31)16-25(24)30;1-17-25(16-33(19(3)34)18(2)20-9-5-4-6-10-20)31-27(24-11-7-8-14-30-24)32-26(17)22-13-12-21(29)15-23(22)28;4*2-1-3/h3-21,24,34H,22H2,1-2H3,(H,40,41);4-15,20,32-33,37-38H,16-19,21H2,1-3H3;3-16,19,28,33H,17H2,1-2H3,(H,34,35);4-15,18,26-27,31-32H,16H2,1-3H3;;;;/t24-,34?;;19-,28?;18-,26?,27?;;;;/m0.00..../s1
• InChIKey: ZPEWNWSUCJHHBA-UXQCDIKMSA-N
• XLogP: 23.70
• TPSA: 381.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2364.36
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine?

The IUPAC name of tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine (CID 162182365) is tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine.

What is the SMILES notation for tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine?

The canonical SMILES for tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine is CC(=O)N(CC1=C(C)C(c2ccc(F)cc2Cl)NC(c2ccccn2)N1)[C@@H](C)c1ccccc1.CC1=C(CN(C(=O)c2ccccc2)[C@@H](C)c2ccc3ccccc3c2)NC(c2ccccn2)=NC1c1ccc(F)cc1Cl.CC1=C(CN2CCN(S(=O)(=O)c3cccc4c(N(C)C)cccc34)CC2)NC(c2ccccn2)NC1c1ccc(F)cc1Cl.CC1=C(CN[C@@H](C)c2ccc3ccccc3c2)NC(c2ccccn2)=NC1c1ccc(F)cc1Cl.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine?

The InChIKey is ZPEWNWSUCJHHBA-UXQCDIKMSA-N. The full InChI is InChI=1S/C36H30ClFN4O.C33H36ClFN6O2S.C29H26ClFN4.C27H28ClFN4O.4CO2/c1-23-33(40-35(32-14-8-9-19-39-32)41-34(23)30-18-17-29(38)21-31(30)37)22-42(36(43)26-11-4-3-5-12-26)24(2)27-16-15-25-10-6-7-13-28(25)20-27;1-22-29(37-33(28-10-4-5-15-36-28)38-32(22)26-14-13-23(35)20-27(26)34)21-40-16-18-41(19-17-40)44(42,43)31-12-7-8-24-25(31)9-6-11-30(24)39(2)3;1-18-27(17-33-19(2)21-11-10-20-7-3-4-8-22(20)15-21)34-29(26-9-5-6-14-32-26)35-28(18)24-13-12-23(31)16-25(24)30;1-17-25(16-33(19(3)34)18(2)20-9-5-4-6-10-20)31-27(24-11-7-8-14-30-24)32-26(17)22-13-12-21(29)15-23(22)28;4*2-1-3/h3-21,24,34H,22H2,1-2H3,(H,40,41);4-15,20,32-33,37-38H,16-19,21H2,1-3H3;3-16,19,28,33H,17H2,1-2H3,(H,34,35);4-15,18,26-27,31-32H,16H2,1-3H3;;;;/t24-,34?;;19-,28?;18-,26?,27?;;;;/m0.00..../s1.

What are the key properties of tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine?

tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine has a molecular weight of 2364.36 g/mol, XLogP of 23.70, 26 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(carbon dioxide);(1S)-N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-1-naphthalen-2-ylethanamine;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide;N-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]-N-[(1S)-1-phenylethyl]acetamide;5-[4-[[4-(2-chloro-4-fluorophenyl)-5-methyl-2-pyridin-2-yl-1,2,3,4-tetrahydropyrimidin-6-yl]methyl]piperazin-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 162182365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).