2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide

C109H122F4N16O9 — CID 158955561

About 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 158955561) has the molecular formula C109H122F4N16O9 and a molecular weight of 1876.27 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
• PubChem CID: 158955561
• Molecular Formula: C109H122F4N16O9
• Molecular Weight: 1876.27 g/mol
• Exact Mass: 1874.95
• IUPAC Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
• SMILES: COc1ccc(N(C(=O)c2cnc(N3CCC4CCCCC4C3)nc2-c2ccccc2F)C(C)C)cc1.COc1cccc(N(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1.Cc1ccc(CN(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C2CC2)cc1.Cc1nc(N2CCOCC2)nc(-c2ccccc2F)c1C(=O)N(Cc1ccccc1)C(C)C
• InChI: InChI=1S/C30H35FN4O2.C27H29FN4O2.C26H29FN4O3.C26H29FN4O2/c1-20(2)35(23-12-14-24(37-3)15-13-23)29(36)26-18-32-30(33-28(26)25-10-6-7-11-27(25)31)34-17-16-21-8-4-5-9-22(21)19-34;1-18-7-9-20(10-8-18)17-32(21-11-12-21)26(33)24-19(2)29-27(31-13-15-34-16-14-31)30-25(24)22-5-3-4-6-23(22)28;1-17(2)31(19-8-7-9-20(16-19)33-4)25(32)23-18(3)28-26(30-12-14-34-15-13-30)29-24(23)21-10-5-6-11-22(21)27;1-18(2)31(17-20-9-5-4-6-10-20)25(32)23-19(3)28-26(30-13-15-33-16-14-30)29-24(23)21-11-7-8-12-22(21)27/h6-7,10-15,18,20-22H,4-5,8-9,16-17,19H2,1-3H3;3-10,21H,11-17H2,1-2H3;5-11,16-17H,12-15H2,1-4H3;4-12,18H,13-17H2,1-3H3
• InChIKey: JLYORRPLNVEURB-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 243.47 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.27
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?

The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide (CID 158955561) is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide.

What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?

The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is COc1ccc(N(C(=O)c2cnc(N3CCC4CCCCC4C3)nc2-c2ccccc2F)C(C)C)cc1.COc1cccc(N(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1.Cc1ccc(CN(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C2CC2)cc1.Cc1nc(N2CCOCC2)nc(-c2ccccc2F)c1C(=O)N(Cc1ccccc1)C(C)C.

What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?

The InChIKey is JLYORRPLNVEURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O2.C27H29FN4O2.C26H29FN4O3.C26H29FN4O2/c1-20(2)35(23-12-14-24(37-3)15-13-23)29(36)26-18-32-30(33-28(26)25-10-6-7-11-27(25)31)34-17-16-21-8-4-5-9-22(21)19-34;1-18-7-9-20(10-8-18)17-32(21-11-12-21)26(33)24-19(2)29-27(31-13-15-34-16-14-31)30-25(24)22-5-3-4-6-23(22)28;1-17(2)31(19-8-7-9-20(16-19)33-4)25(32)23-18(3)28-26(30-12-14-34-15-13-30)29-24(23)21-10-5-6-11-22(21)27;1-18(2)31(17-20-9-5-4-6-10-20)25(32)23-19(3)28-26(30-13-15-33-16-14-30)29-24(23)21-11-7-8-12-22(21)27/h6-7,10-15,18,20-22H,4-5,8-9,16-17,19H2,1-3H3;3-10,21H,11-17H2,1-2H3;5-11,16-17H,12-15H2,1-4H3;4-12,18H,13-17H2,1-3H3.

What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide?

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 1876.27 g/mol, XLogP of 19.87, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-(4-methoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-4-(2-fluorophenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-cyclopropyl-4-(2-fluorophenyl)-6-methyl-N-[(4-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 158955561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).