2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen

C93H117N17O8 — CID 157493151

About 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen

2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen (PubChem CID 157493151) has the molecular formula C93H117N17O8 and a molecular weight of 1601.07 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen
• PubChem CID: 157493151
• Molecular Formula: C93H117N17O8
• Molecular Weight: 1601.07 g/mol
• Exact Mass: 1599.93
• IUPAC Name: 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen
• SMILES: CCC(C)Nc1ncc(C(=O)N(C)CC)c(-c2cccc(C)c2)n1.COCCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1.COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC.COc1ccccc1CCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1.[H][H]
• InChI: InChI=1S/C28H33N5O3.C25H28N4O2.C21H28N4O2.C19H26N4O.H2/c1-19(2)18-33(4)27(34)23-17-30-28(31-26(23)22-10-7-21(16-29)8-11-22)32(3)14-13-20-9-12-24(35-5)25(15-20)36-6;1-18-8-7-10-20(16-18)23-21(17-27-25(28-23)29-14-5-6-15-29)24(30)26-13-12-19-9-3-4-11-22(19)31-2;1-16-8-6-9-17(14-16)19-18(20(26)25-11-4-3-5-12-25)15-23-21(24-19)22-10-7-13-27-2;1-6-14(4)21-19-20-12-16(18(24)23(5)7-2)17(22-19)15-10-8-9-13(3)11-15;/h7-12,15,17,19H,13-14,18H2,1-6H3;3-4,7-11,16-17H,5-6,12-15H2,1-2H3,(H,26,30);6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,22,23,24);8-12,14H,6-7H2,1-5H3,(H,20,21,22);1H
• InChIKey: BXNBJTXNEAROBH-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 284.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1601.07
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen?

The IUPAC name of 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen (CID 157493151) is 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen.

What is the SMILES notation for 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen?

The canonical SMILES for 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen is CCC(C)Nc1ncc(C(=O)N(C)CC)c(-c2cccc(C)c2)n1.COCCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1.COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC.COc1ccccc1CCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1.[H][H].

What is the InChIKey of 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen?

The InChIKey is BXNBJTXNEAROBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3.C25H28N4O2.C21H28N4O2.C19H26N4O.H2/c1-19(2)18-33(4)27(34)23-17-30-28(31-26(23)22-10-7-21(16-29)8-11-22)32(3)14-13-20-9-12-24(35-5)25(15-20)36-6;1-18-8-7-10-20(16-18)23-21(17-27-25(28-23)29-14-5-6-15-29)24(30)26-13-12-19-9-3-4-11-22(19)31-2;1-16-8-6-9-17(14-16)19-18(20(26)25-11-4-3-5-12-25)15-23-21(24-19)22-10-7-13-27-2;1-6-14(4)21-19-20-12-16(18(24)23(5)7-2)17(22-19)15-10-8-9-13(3)11-15;/h7-12,15,17,19H,13-14,18H2,1-6H3;3-4,7-11,16-17H,5-6,12-15H2,1-2H3,(H,26,30);6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,22,23,24);8-12,14H,6-7H2,1-5H3,(H,20,21,22);1H.

What are the key properties of 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen?

2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen has a molecular weight of 1601.07 g/mol, XLogP of 16.00, 30 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(butan-2-ylamino)-N-ethyl-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;N-[2-(2-methoxyphenyl)ethyl]-4-(3-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide;[2-(3-methoxypropylamino)-4-(3-methylphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone;molecular hydrogen is sourced from PubChem (CID 157493151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).