4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine

C95H119Cl2F3N34O9 — CID 161205165

About 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine

4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine (PubChem CID 161205165) has the molecular formula C95H119Cl2F3N34O9 and a molecular weight of 2009.13 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
• PubChem CID: 161205165
• Molecular Formula: C95H119Cl2F3N34O9
• Molecular Weight: 2009.13 g/mol
• Exact Mass: 2006.92
• IUPAC Name: 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
• SMILES: N#Cc1cnc(NCc2cccnc2Cl)nc1NCC1CCC(N)CC1.NC1CCC(CNc2nc(NC(Cc3ccccc3)c3ccccc3)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3cc[nH]c(=O)c3)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3ccncc3Cl)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3cnccc3C(F)(F)F)ncc2[N+](=O)[O-])CC1
• InChI: InChI=1S/C25H30N6O2.C18H22ClN7.C18H22F3N7O2.C17H22ClN7O2.C17H23N7O3/c26-21-13-11-19(12-14-21)16-27-24-23(31(32)33)17-28-25(30-24)29-22(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18;19-16-13(2-1-7-22-16)10-24-18-25-11-14(8-20)17(26-18)23-9-12-3-5-15(21)6-4-12;19-18(20,21)14-5-6-23-8-12(14)9-25-17-26-10-15(28(29)30)16(27-17)24-7-11-1-3-13(22)4-2-11;18-14-9-20-6-5-12(14)8-22-17-23-10-15(25(26)27)16(24-17)21-7-11-1-3-13(19)4-2-11;18-13-3-1-11(2-4-13)8-20-16-14(24(26)27)10-22-17(23-16)21-9-12-5-6-19-15(25)7-12/h1-10,17,19,21-22H,11-16,26H2,(H2,27,28,29,30);1-2,7,11-12,15H,3-6,9-10,21H2,(H2,23,24,25,26);5-6,8,10-11,13H,1-4,7,9,22H2,(H2,24,25,26,27);5-6,9-11,13H,1-4,7-8,19H2,(H2,21,22,23,24);5-7,10-11,13H,1-4,8-9,18H2,(H,19,25)(H2,20,21,22,23)
• InChIKey: UVMPUNGLITXTLT-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 647.18 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.13
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine (CID 161205165) is 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine is N#Cc1cnc(NCc2cccnc2Cl)nc1NCC1CCC(N)CC1.NC1CCC(CNc2nc(NC(Cc3ccccc3)c3ccccc3)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3cc[nH]c(=O)c3)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3ccncc3Cl)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3cnccc3C(F)(F)F)ncc2[N+](=O)[O-])CC1.

What is the InChIKey of 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?

The InChIKey is UVMPUNGLITXTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2.C18H22ClN7.C18H22F3N7O2.C17H22ClN7O2.C17H23N7O3/c26-21-13-11-19(12-14-21)16-27-24-23(31(32)33)17-28-25(30-24)29-22(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18;19-16-13(2-1-7-22-16)10-24-18-25-11-14(8-20)17(26-18)23-9-12-3-5-15(21)6-4-12;19-18(20,21)14-5-6-23-8-12(14)9-25-17-26-10-15(28(29)30)16(27-17)24-7-11-1-3-13(22)4-2-11;18-14-9-20-6-5-12(14)8-22-17-23-10-15(25(26)27)16(24-17)21-7-11-1-3-13(19)4-2-11;18-13-3-1-11(2-4-13)8-20-16-14(24(26)27)10-22-17(23-16)21-9-12-5-6-19-15(25)7-12/h1-10,17,19,21-22H,11-16,26H2,(H2,27,28,29,30);1-2,7,11-12,15H,3-6,9-10,21H2,(H2,23,24,25,26);5-6,8,10-11,13H,1-4,7,9,22H2,(H2,24,25,26,27);5-6,9-11,13H,1-4,7-8,19H2,(H2,21,22,23,24);5-7,10-11,13H,1-4,8-9,18H2,(H,19,25)(H2,20,21,22,23).

What are the key properties of 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine?

4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 2009.13 g/mol, XLogP of 15.58, 36 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 161205165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).