dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride

C45H76Cl4K2N14O9 — CID 160626917

IUPACdipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride
SMILESCC(C)(C)N.C[C@@H]1CC[C@@H](N)C[C@H]1O.C[C@@H]1CC[C@@H](Nc2nc(Cl)ncc2C(N)=O)C[C@H]1O.C[C@@H]1CC[C@@H](Nc2nc(NC(C)(C)C)ncc2C(N)=O)C[C@H]1O.Cl.NC(=O)c1cnc(Cl)nc1Cl.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C16H27N5O2.C12H17ClN4O2.C7H15NO.C5H3Cl2N3O.C4H11N.CH2O3.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;1-4(2,3)5;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);5H2,1-3H3;1,3H;1H;;;/q;;;;;;;2*+1;-1/p-1/t9-,10-,12-;6-,7-,9-;5-,6-,7-;;;;;;;/m111......./s1
InChIKeyAQGDMIUTTNQAPX-XMDCWHMESA-M
MW1177.20 g/mol
LogP-1.96
Rot. Bonds9

About dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride

dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride (PubChem CID 160626917) has the molecular formula C45H76Cl4K2N14O9 and a molecular weight of 1177.20 g/mol. Its IUPAC name is dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride.

Molecular Properties

Compound Namedipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride
PubChem CID160626917
Molecular FormulaC45H76Cl4K2N14O9
Molecular Weight1177.20 g/mol
Exact Mass1174.39
IUPAC Namedipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride
SMILESCC(C)(C)N.C[C@@H]1CC[C@@H](N)C[C@H]1O.C[C@@H]1CC[C@@H](Nc2nc(Cl)ncc2C(N)=O)C[C@H]1O.C[C@@H]1CC[C@@H](Nc2nc(NC(C)(C)C)ncc2C(N)=O)C[C@H]1O.Cl.NC(=O)c1cnc(Cl)nc1Cl.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C16H27N5O2.C12H17ClN4O2.C7H15NO.C5H3Cl2N3O.C4H11N.CH2O3.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;1-4(2,3)5;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);5H2,1-3H3;1,3H;1H;;;/q;;;;;;;2*+1;-1/p-1/t9-,10-,12-;6-,7-,9-;5-,6-,7-;;;;;;;/m111......./s1
InChIKeyAQGDMIUTTNQAPX-XMDCWHMESA-M
XLogP-1.96
TPSA404.79 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.20
LogP ≤ 5-1.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

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'}

Analyze dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride with MolForge

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Related Compounds

2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 158793535
2-(tert-butylamino)-4-[(3,3-dideuterio-5-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 140838077
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 71237447
2-(cyclopropylmethylamino)-4-[[(3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 71242409
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
2-(tert-butylamino)-4-[(1-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(3-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[(4-deuterio-3-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 158971971
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(3,3,3-trifluoroprop-1-en-2-ylamino)pyrimidine-5-carboxamide
CID 130206512
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1-methylcyclopentyl)amino]pyrimidine-5-carboxamide
CID 71237293
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811
2-(tert-butylamino)-4-[[(3R,4R)-3-hydroxy-3,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 134192870
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 71237996
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316

Frequently Asked Questions

What is the IUPAC name of dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride?
The IUPAC name of dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride (CID 160626917) is dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride.
What is the SMILES notation for dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride?
The canonical SMILES for dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride is CC(C)(C)N.C[C@@H]1CC[C@@H](N)C[C@H]1O.C[C@@H]1CC[C@@H](Nc2nc(Cl)ncc2C(N)=O)C[C@H]1O.C[C@@H]1CC[C@@H](Nc2nc(NC(C)(C)C)ncc2C(N)=O)C[C@H]1O.Cl.NC(=O)c1cnc(Cl)nc1Cl.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride?
The InChIKey is AQGDMIUTTNQAPX-XMDCWHMESA-M. The full InChI is InChI=1S/C16H27N5O2.C12H17ClN4O2.C7H15NO.C5H3Cl2N3O.C4H11N.CH2O3.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;1-4(2,3)5;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);5H2,1-3H3;1,3H;1H;;;/q;;;;;;;2*+1;-1/p-1/t9-,10-,12-;6-,7-,9-;5-,6-,7-;;;;;;;/m111......./s1.
What are the key properties of dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride?
dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride has a molecular weight of 1177.20 g/mol, XLogP of -1.96, 9 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2-chloro-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carboxamide;hydride;2-methylpropan-2-amine;oxido formate;hydrochloride is sourced from PubChem (CID 160626917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).