4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol

C91H98Cl2N20O19 — CID 157151610

IUPAC4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol
SMILESCOc1cc(NCC(O)c2ccc(O)cc2)ncn1.Cc1cc(C)nc(NCC(O)c2ccc(O)cc2)n1.Cc1cccc(NCC(O)c2ccc(O)cc2)n1.O=[N+]([O-])c1ccc(NCC(O)c2ccc(O)cc2)nc1.O=[N+]([O-])c1cnc(NCC(O)c2ccc(O)cc2)nc1.Oc1ccc(C(O)CNc2ccccn2)cc1.Oc1ccc(C(O)CNc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C14H17N3O2.C14H16N2O2.C13H13N3O4.C13H15N3O3.C13H14N2O2.C12H11Cl2N3O2.C12H12N4O4/c1-9-7-10(2)17-14(16-9)15-8-13(19)11-3-5-12(18)6-4-11;1-10-3-2-4-14(16-10)15-9-13(18)11-5-7-12(17)8-6-11;17-11-4-1-9(2-5-11)12(18)8-15-13-6-3-10(7-14-13)16(19)20;1-19-13-6-12(15-8-16-13)14-7-11(18)9-2-4-10(17)5-3-9;16-11-6-4-10(5-7-11)12(17)9-15-13-3-1-2-8-14-13;13-10-5-11(14)17-12(16-10)15-6-9(19)7-1-3-8(18)4-2-7;17-10-3-1-8(2-4-10)11(18)7-15-12-13-5-9(6-14-12)16(19)20/h3-7,13,18-19H,8H2,1-2H3,(H,15,16,17);2-8,13,17-18H,9H2,1H3,(H,15,16);1-7,12,17-18H,8H2,(H,14,15);2-6,8,11,17-18H,7H2,1H3,(H,14,15,16);1-8,12,16-17H,9H2,(H,14,15);1-5,9,18-19H,6H2,(H,15,16,17);1-6,11,17-18H,7H2,(H,13,14,15)
InChIKeyALHXMKZZFZDONJ-UHFFFAOYSA-N
MW1846.81 g/mol
LogP13.17
Rot. Bonds31

About 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol

4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol (PubChem CID 157151610) has the molecular formula C91H98Cl2N20O19 and a molecular weight of 1846.81 g/mol. Its IUPAC name is 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol
PubChem CID157151610
Molecular FormulaC91H98Cl2N20O19
Molecular Weight1846.81 g/mol
Exact Mass1844.67
IUPAC Name4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol
SMILESCOc1cc(NCC(O)c2ccc(O)cc2)ncn1.Cc1cc(C)nc(NCC(O)c2ccc(O)cc2)n1.Cc1cccc(NCC(O)c2ccc(O)cc2)n1.O=[N+]([O-])c1ccc(NCC(O)c2ccc(O)cc2)nc1.O=[N+]([O-])c1cnc(NCC(O)c2ccc(O)cc2)nc1.Oc1ccc(C(O)CNc2ccccn2)cc1.Oc1ccc(C(O)CNc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C14H17N3O2.C14H16N2O2.C13H13N3O4.C13H15N3O3.C13H14N2O2.C12H11Cl2N3O2.C12H12N4O4/c1-9-7-10(2)17-14(16-9)15-8-13(19)11-3-5-12(18)6-4-11;1-10-3-2-4-14(16-10)15-9-13(18)11-5-7-12(17)8-6-11;17-11-4-1-9(2-5-11)12(18)8-15-13-6-3-10(7-14-13)16(19)20;1-19-13-6-12(15-8-16-13)14-7-11(18)9-2-4-10(17)5-3-9;16-11-6-4-10(5-7-11)12(17)9-15-13-3-1-2-8-14-13;13-10-5-11(14)17-12(16-10)15-6-9(19)7-1-3-8(18)4-2-7;17-10-3-1-8(2-4-10)11(18)7-15-12-13-5-9(6-14-12)16(19)20/h3-7,13,18-19H,8H2,1-2H3,(H,15,16,17);2-8,13,17-18H,9H2,1H3,(H,15,16);1-7,12,17-18H,8H2,(H,14,15);2-6,8,11,17-18H,7H2,1H3,(H,14,15,16);1-8,12,16-17H,9H2,(H,14,15);1-5,9,18-19H,6H2,(H,15,16,17);1-6,11,17-18H,7H2,(H,13,14,15)
InChIKeyALHXMKZZFZDONJ-UHFFFAOYSA-N
XLogP13.17
TPSA604.73 Ų
H-Bond Donors21
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.81
LogP ≤ 513.17
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol with MolForge

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Related Compounds

6-[[4-(3-aminopropylamino)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;(2S)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]propan-1-ol;2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]propan-1-ol
CID 87678215
bis((2S)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]-3-phenylpropan-1-ol);bis((2S)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]propan-1-ol)
CID 157229732
(1R)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]-1-phenylethanol;(1S)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]-1-phenylethanol;(2R)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]-2-phenylethanol;(2S)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]-2-phenylethanol
CID 157253689
4-N-[[4-(3-aminopropylamino)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;bis((2S)-1-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]propan-2-ol);3-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]propan-1-ol
CID 157482995
4-N-[[4-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;5-nitro-4-N-[(4-piperazin-1-ylcyclohexyl)methyl]-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;1-[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidin-3-ol;1-[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]piperidin-4-ol
CID 159363039
4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine;4-N-[(4-imidazol-1-ylcyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;5-nitro-4-N-[[4-(pyridin-2-ylamino)cyclohexyl]methyl]-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;(2R)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]-2-phenylethanol
CID 160316633
4-N-[[4-(3-aminopropylamino)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;(2S)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]propan-1-ol;(2R)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]propan-1-ol;3-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]propan-1-ol
CID 161943464
4-(2-Anilino-1-hydroxyethyl)phenol;4-[2-[butyl(methyl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-(4-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(3-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(4-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(4-phenylanilino)ethyl]phenol;4-[1-hydroxy-2-(pyrimidin-2-ylamino)ethyl]phenol
CID 157416818
(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;2,4-dichloropyrido[3,2-d]pyrimidine;(2R,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-3-methylheptan-2-ol;(2S,3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-3-methylheptan-2-ol;(3R)-3-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-3-methylheptan-2-ol;3,3-dimethylheptan-2-ol
CID 157662247
4-N-[[4-(azetidin-1-yl)cyclohexyl]methyl]-2-N-[(4-chloro-3-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[[4-(azetidin-1-yl)cyclohexyl]methyl]-2-N-[(2-methoxy-3-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;1-[4-[[[2-[(4-chloro-3-pyridinyl)methylamino]-5-nitropyrimidin-4-yl]amino]methyl]cyclohexyl]azetidin-3-ol;1-[4-[[[2-[(2-methoxy-3-pyridinyl)methylamino]-5-nitropyrimidin-4-yl]amino]methyl]cyclohexyl]azetidin-3-ol
CID 157968938
4-[7-Chloro-2-(4-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;4-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenol;[3-(7-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]methanol;4-[7-chloro-2-(4-nitrophenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 158054249
3-[2-[2-[(5-Nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]phenol;4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]phenol;4-[2-(3-phenoxypropylamino)pyrimidin-4-yl]phenol
CID 158213693

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol (CID 157151610) is 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol is COc1cc(NCC(O)c2ccc(O)cc2)ncn1.Cc1cc(C)nc(NCC(O)c2ccc(O)cc2)n1.Cc1cccc(NCC(O)c2ccc(O)cc2)n1.O=[N+]([O-])c1ccc(NCC(O)c2ccc(O)cc2)nc1.O=[N+]([O-])c1cnc(NCC(O)c2ccc(O)cc2)nc1.Oc1ccc(C(O)CNc2ccccn2)cc1.Oc1ccc(C(O)CNc2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol?
The InChIKey is ALHXMKZZFZDONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.C14H16N2O2.C13H13N3O4.C13H15N3O3.C13H14N2O2.C12H11Cl2N3O2.C12H12N4O4/c1-9-7-10(2)17-14(16-9)15-8-13(19)11-3-5-12(18)6-4-11;1-10-3-2-4-14(16-10)15-9-13(18)11-5-7-12(17)8-6-11;17-11-4-1-9(2-5-11)12(18)8-15-13-6-3-10(7-14-13)16(19)20;1-19-13-6-12(15-8-16-13)14-7-11(18)9-2-4-10(17)5-3-9;16-11-6-4-10(5-7-11)12(17)9-15-13-3-1-2-8-14-13;13-10-5-11(14)17-12(16-10)15-6-9(19)7-1-3-8(18)4-2-7;17-10-3-1-8(2-4-10)11(18)7-15-12-13-5-9(6-14-12)16(19)20/h3-7,13,18-19H,8H2,1-2H3,(H,15,16,17);2-8,13,17-18H,9H2,1H3,(H,15,16);1-7,12,17-18H,8H2,(H,14,15);2-6,8,11,17-18H,7H2,1H3,(H,14,15,16);1-8,12,16-17H,9H2,(H,14,15);1-5,9,18-19H,6H2,(H,15,16,17);1-6,11,17-18H,7H2,(H,13,14,15).
What are the key properties of 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol?
4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol has a molecular weight of 1846.81 g/mol, XLogP of 13.17, 31 rotatable bonds, 21 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-[(6-methyl-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-[(5-nitropyrimidin-2-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol is sourced from PubChem (CID 157151610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).