(2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane

C129H201F3N36O12S9 — CID 157405927

IUPAC(2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2c(F)cccc12.CCCC[C@@H](CO)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@@H](CO)Nc1nc(N)nc2ccc(F)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12.CCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12.CCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.CCC[C@@H](CO)Nc1nc(N)nc2ccc(OC)cc12.CCC[C@@H](CO)Nc1nc(N)nc2cccc(OC)c12.S.S.S.S.S.S.S.S.S
InChIInChI=1S/3C15H22N4O.3C14H19FN4O.3C14H20N4O2.9H2S/c1-3-5-11(8-9-20)17-14-13-10(2)6-4-7-12(13)18-15(16)19-14;1-3-4-11(7-8-20)17-14-12-9-10(2)5-6-13(12)18-15(16)19-14;1-3-4-11(7-8-20)17-14-12-6-5-10(2)9-13(12)18-15(16)19-14;1-2-3-5-9(8-20)17-13-10-6-4-7-11(15)12(10)18-14(16)19-13;1-2-3-4-10(8-20)17-13-11-7-9(15)5-6-12(11)18-14(16)19-13;1-2-3-4-10(8-20)17-13-11-6-5-9(15)7-12(11)18-14(16)19-13;1-3-5-9(8-19)16-13-12-10(17-14(15)18-13)6-4-7-11(12)20-2;1-3-4-9(8-19)16-13-11-7-10(20-2)5-6-12(11)17-14(15)18-13;1-3-4-9(8-19)16-13-11-6-5-10(20-2)7-12(11)17-14(15)18-13;;;;;;;;;/h4,6-7,11,20H,3,5,8-9H2,1-2H3,(H3,16,17,18,19);2*5-6,9,11,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);4,6-7,9,20H,2-3,5,8H2,1H3,(H3,16,17,18,19);2*5-7,10,20H,2-4,8H2,1H3,(H3,16,17,18,19);4,6-7,9,19H,3,5,8H2,1-2H3,(H3,15,16,17,18);2*5-7,9,19H,3-4,8H2,1-2H3,(H3,15,16,17,18);9*1H2/t3*11-;9-;2*10-;3*9-;;;;;;;;;/m000000000........./s1
InChIKeyBNSFVRGGKLSIQC-TWUYCWFZSA-N
MW2793.86 g/mol
LogP20.79
Rot. Bonds54

About (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane

(2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane (PubChem CID 157405927) has the molecular formula C129H201F3N36O12S9 and a molecular weight of 2793.86 g/mol. Its IUPAC name is (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane.

Molecular Properties

Compound Name(2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane
PubChem CID157405927
Molecular FormulaC129H201F3N36O12S9
Molecular Weight2793.86 g/mol
Exact Mass2791.37
IUPAC Name(2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2c(F)cccc12.CCCC[C@@H](CO)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@@H](CO)Nc1nc(N)nc2ccc(F)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12.CCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12.CCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.CCC[C@@H](CO)Nc1nc(N)nc2ccc(OC)cc12.CCC[C@@H](CO)Nc1nc(N)nc2cccc(OC)c12.S.S.S.S.S.S.S.S.S
InChIInChI=1S/3C15H22N4O.3C14H19FN4O.3C14H20N4O2.9H2S/c1-3-5-11(8-9-20)17-14-13-10(2)6-4-7-12(13)18-15(16)19-14;1-3-4-11(7-8-20)17-14-12-9-10(2)5-6-13(12)18-15(16)19-14;1-3-4-11(7-8-20)17-14-12-6-5-10(2)9-13(12)18-15(16)19-14;1-2-3-5-9(8-20)17-13-10-6-4-7-11(15)12(10)18-14(16)19-13;1-2-3-4-10(8-20)17-13-11-7-9(15)5-6-12(11)18-14(16)19-13;1-2-3-4-10(8-20)17-13-11-6-5-9(15)7-12(11)18-14(16)19-13;1-3-5-9(8-19)16-13-12-10(17-14(15)18-13)6-4-7-11(12)20-2;1-3-4-9(8-19)16-13-11-7-10(20-2)5-6-12(11)17-14(15)18-13;1-3-4-9(8-19)16-13-11-6-5-10(20-2)7-12(11)17-14(15)18-13;;;;;;;;;/h4,6-7,11,20H,3,5,8-9H2,1-2H3,(H3,16,17,18,19);2*5-6,9,11,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);4,6-7,9,20H,2-3,5,8H2,1H3,(H3,16,17,18,19);2*5-7,10,20H,2-4,8H2,1H3,(H3,16,17,18,19);4,6-7,9,19H,3,5,8H2,1-2H3,(H3,15,16,17,18);2*5-7,9,19H,3-4,8H2,1-2H3,(H3,15,16,17,18);9*1H2/t3*11-;9-;2*10-;3*9-;;;;;;;;;/m000000000........./s1
InChIKeyBNSFVRGGKLSIQC-TWUYCWFZSA-N
XLogP20.79
TPSA784.23 Ų
H-Bond Donors27
H-Bond Acceptors48
Rotatable Bonds54
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002793.86
LogP ≤ 520.79
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1048

Analyze (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane with MolForge

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Launch Full Analysis

Related Compounds

7-[[[4-[2,5-Difluoro-3-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]phenyl]-3-methyl-2-pyridinyl]amino]-phenylmethyl]-5-[4-[(8-hydroxyquinolin-7-yl)-[(6-methoxy-2-pyridinyl)amino]methyl]phenyl]quinolin-8-ol
CID 146475074
7-fluoro-5-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,5-diamine;5-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methoxy-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methoxy-4-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;5-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine;7-methyl-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
CID 159626861
bis(N-(2-hydroxyethyl)-4-[7-methoxy-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]-N-methylcyclohexane-1-carboxamide);N-(2-hydroxyethyl)-4-[7-methoxy-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]-N-methylcyclohex-3-ene-1-carboxamide
CID 160009319
(3S)-3-[[2-amino-6-[2-chloro-4-(trifluoromethyl)phenoxy]quinazolin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-6-(hydroxymethyl)quinazolin-4-yl]amino]pentan-1-ol;(2S)-2-[[2-amino-7-(hydroxymethyl)quinazolin-4-yl]amino]pentan-1-ol;(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[[2-amino-6-[4-(trifluoromethyl)phenoxy]quinazolin-4-yl]amino]hexan-1-ol;sulfane
CID 160682878
4-[4-[2-(Butylamino)ethylamino]-6,8-difluoro-5-methoxy-2-[[1-[(3-methylmorpholin-4-yl)methyl]cyclopropyl]methoxy]quinazolin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 169609530
N-[(4-chlorophenyl)methyl]-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-amine;N-[(2,4-difluorophenyl)methyl]-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-amine;2-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine;4-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]quinazolin-2-amine;4-(4,4-difluoropiperidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-2-amine;N-[1-(4-fluorophenyl)cyclopropyl]-2-piperidin-1-ylquinazolin-4-amine;N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine;2-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanol
CID 173104940
N-[(4-chlorophenyl)methyl]-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-amine;N-[(2,4-difluorophenyl)methyl]-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-amine;2-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine;4-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]quinazolin-2-amine;4-(4,4-difluoropiperidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-2-amine;N-[1-(4-fluorophenyl)cyclopropyl]-2-piperidin-1-ylquinazolin-4-amine;N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine;(2R)-2-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanol
CID 173104941
N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-amine;6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine
CID 87637055
2-[[2-[4-[1-[4-[[4-(2-Hydroxyethylamino)-6,7-bis(hydroxymethyl)quinazolin-2-yl]amino]phenyl]cyclohexyl]anilino]-6,7-dimethoxyquinazolin-4-yl]amino]ethanol
CID 117825081
[4-Anilino-2-[4-(4-anilino-6,7-dimethoxyquinazolin-2-yl)phenyl]-7-(hydroxymethyl)quinazolin-6-yl]methanol
CID 117825086
2-[[2-[4-[1-[4-[[4-(2-Hydroxyethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]phenyl]cyclohexyl]anilino]-6,7-dimethoxyquinazolin-4-yl]amino]ethanol
CID 117825206
3-[[4-[[1-[[2-(Dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]amino]-6,7-dimethylquinazolin-2-yl]amino]propan-1-ol
CID 143899313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The IUPAC name of (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane (CID 157405927) is (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane.
What is the SMILES notation for (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The canonical SMILES for (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane is CCCC[C@@H](CO)Nc1nc(N)nc2c(F)cccc12.CCCC[C@@H](CO)Nc1nc(N)nc2cc(F)ccc12.CCCC[C@@H](CO)Nc1nc(N)nc2ccc(F)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12.CCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12.CCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.CCC[C@@H](CO)Nc1nc(N)nc2ccc(OC)cc12.CCC[C@@H](CO)Nc1nc(N)nc2cccc(OC)c12.S.S.S.S.S.S.S.S.S.
What is the InChIKey of (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The InChIKey is BNSFVRGGKLSIQC-TWUYCWFZSA-N. The full InChI is InChI=1S/3C15H22N4O.3C14H19FN4O.3C14H20N4O2.9H2S/c1-3-5-11(8-9-20)17-14-13-10(2)6-4-7-12(13)18-15(16)19-14;1-3-4-11(7-8-20)17-14-12-9-10(2)5-6-13(12)18-15(16)19-14;1-3-4-11(7-8-20)17-14-12-6-5-10(2)9-13(12)18-15(16)19-14;1-2-3-5-9(8-20)17-13-10-6-4-7-11(15)12(10)18-14(16)19-13;1-2-3-4-10(8-20)17-13-11-7-9(15)5-6-12(11)18-14(16)19-13;1-2-3-4-10(8-20)17-13-11-6-5-9(15)7-12(11)18-14(16)19-13;1-3-5-9(8-19)16-13-12-10(17-14(15)18-13)6-4-7-11(12)20-2;1-3-4-9(8-19)16-13-11-7-10(20-2)5-6-12(11)17-14(15)18-13;1-3-4-9(8-19)16-13-11-6-5-10(20-2)7-12(11)17-14(15)18-13;;;;;;;;;/h4,6-7,11,20H,3,5,8-9H2,1-2H3,(H3,16,17,18,19);2*5-6,9,11,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);4,6-7,9,20H,2-3,5,8H2,1H3,(H3,16,17,18,19);2*5-7,10,20H,2-4,8H2,1H3,(H3,16,17,18,19);4,6-7,9,19H,3,5,8H2,1-2H3,(H3,15,16,17,18);2*5-7,9,19H,3-4,8H2,1-2H3,(H3,15,16,17,18);9*1H2/t3*11-;9-;2*10-;3*9-;;;;;;;;;/m000000000........./s1.
What are the key properties of (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane?
(2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane has a molecular weight of 2793.86 g/mol, XLogP of 20.79, 54 rotatable bonds, 27 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-6-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-8-fluoroquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-5-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]pentan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol;sulfane is sourced from PubChem (CID 157405927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).