dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride

C42H69Cl4K2N13O9 — CID 158970006

About dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride

dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride (PubChem CID 158970006) has the molecular formula C42H69Cl4K2N13O9 and a molecular weight of 1162.36 g/mol. Its IUPAC name is dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride
• PubChem CID: 158970006
• Molecular Formula: C42H69Cl4K2N13O9
• Molecular Weight: 1162.36 g/mol
• Exact Mass: 1159.60
• IUPAC Name: dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride
• SMILES: C.Cl.O=CO[O-].[2H]C([2H])([2H])C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(N)C([2H])([2H])C1([2H])O.[2H]c1nc(Cl)[nH]/c(=N\C2([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(O)C2([2H])[2H])c1C(N)=O.[2H]c1nc(Cl)nc(Cl)c1C(N)=O.[2H]c1nc(NC(C)(C)C([2H])([2H])[2H])[nH]/c(=N\C2([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(O)C2([2H])[2H])c1C(N)=O.[H-].[K+].[K+]
• InChI: InChI=1S/C16H27N5O2.C12H17ClN4O2.C7H15NO.C5H3Cl2N3O.CH2O3.CH4.ClH.2K.H/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4;1-6-2-3-7(4-9(6)18)16-11-8(10(14)19)5-15-12(13)17-11;1-5-2-3-6(8)4-7(5)9;6-3-2(4(8)11)1-9-5(7)10-3;2-1-4-3;;;;;/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21);5-7,9,18H,2-4H2,1H3,(H2,14,19)(H,15,16,17);5-7,9H,2-4,8H2,1H3;1H,(H2,8,11);1,3H;1H4;1H;;;/q;;;;;;;2*+1;-1/p-1/i1D3,2D3,5D2,6D2,7D2,8D,9D,10D,12D;1D3,2D2,3D2,4D2,5D,6D,7D,9D;1D3,2D2,3D2,4D2,5D,6D,7D;1D
• InChIKey: CGBDCNYXKXXEGM-KBZDJWOXSA-M
• XLogP: -3.23
• TPSA: 385.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.36
LogP ≤ 5	-3.23
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride?

The IUPAC name of dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride (CID 158970006) is dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride.

What is the SMILES notation for dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride?

The canonical SMILES for dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride is C.Cl.O=CO[O-].[2H]C([2H])([2H])C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(N)C([2H])([2H])C1([2H])O.[2H]c1nc(Cl)[nH]/c(=N\C2([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(O)C2([2H])[2H])c1C(N)=O.[2H]c1nc(Cl)nc(Cl)c1C(N)=O.[2H]c1nc(NC(C)(C)C([2H])([2H])[2H])[nH]/c(=N\C2([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(O)C2([2H])[2H])c1C(N)=O.[H-].[K+].[K+].

What is the InChIKey of dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride?

The InChIKey is CGBDCNYXKXXEGM-KBZDJWOXSA-M. The full InChI is InChI=1S/C16H27N5O2.C12H17ClN4O2.C7H15NO.C5H3Cl2N3O.CH2O3.CH4.ClH.2K.H/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4;1-6-2-3-7(4-9(6)18)16-11-8(10(14)19)5-15-12(13)17-11;1-5-2-3-6(8)4-7(5)9;6-3-2(4(8)11)1-9-5(7)10-3;2-1-4-3;;;;;/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21);5-7,9,18H,2-4H2,1H3,(H2,14,19)(H,15,16,17);5-7,9H,2-4,8H2,1H3;1H,(H2,8,11);1,3H;1H4;1H;;;/q;;;;;;;2*+1;-1/p-1/i1D3,2D3,5D2,6D2,7D2,8D,9D,10D,12D;1D3,2D2,3D2,4D2,5D,6D,7D,9D;1D3,2D2,3D2,4D2,5D,6D,7D;1D;;;;;;.

What are the key properties of dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride?

dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride has a molecular weight of 1162.36 g/mol, XLogP of -3.23, 10 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;3-amino-1,2,2,3,4,4,5,5,6-nonadeuterio-6-(trideuteriomethyl)cyclohexan-1-ol;2-chloro-4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-1H-pyrimidine-5-carboxamide;4-deuterio-6-[1,2,2,3,3,4,5,6,6-nonadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]imino-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]-1H-pyrimidine-5-carboxamide;2,4-dichloro-6-deuteriopyrimidine-5-carboxamide;hydride;methane;oxido formate;hydrochloride is sourced from PubChem (CID 158970006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).