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

C93H150N24O9S6 — CID 159680134

IUPAC(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane
SMILESCCCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12.CCCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.CCCC[C@@H](CO)Nc1nc(N)nc2ccc(OC)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12.S.S.S.S.S.S
InChIInChI=1S/3C16H24N4O.3C15H22N4O2.6H2S/c1-3-4-7-12(9-10-21)18-15-14-11(2)6-5-8-13(14)19-16(17)20-15;1-3-4-5-12(8-9-21)18-15-13-10-11(2)6-7-14(13)19-16(17)20-15;1-3-4-5-12(8-9-21)18-15-13-7-6-11(2)10-14(13)19-16(17)20-15;1-3-4-10(7-8-20)17-14-12-6-5-11(21-2)9-13(12)18-15(16)19-14;1-3-4-5-10(9-20)17-14-12-8-11(21-2)6-7-13(12)18-15(16)19-14;1-3-4-5-10(9-20)17-14-12-7-6-11(21-2)8-13(12)18-15(16)19-14;;;;;;/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3,(H3,17,18,19,20);2*6-7,10,12,21H,3-5,8-9H2,1-2H3,(H3,17,18,19,20);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);2*6-8,10,20H,3-5,9H2,1-2H3,(H3,16,17,18,19);6*1H2/t3*12-;3*10-;;;;;;/m000000....../s1
InChIKeyMVCJEGBXYHUWKI-CLKSHFJFSA-N
MW1940.78 g/mol
LogP15.85
Rot. Bonds42

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

(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane (PubChem CID 159680134) has the molecular formula C93H150N24O9S6 and a molecular weight of 1940.78 g/mol. Its IUPAC name is (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane.

Molecular Properties

Compound Name(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane
PubChem CID159680134
Molecular FormulaC93H150N24O9S6
Molecular Weight1940.78 g/mol
Exact Mass1939.03
IUPAC Name(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane
SMILESCCCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12.CCCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.CCCC[C@@H](CO)Nc1nc(N)nc2ccc(OC)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12.S.S.S.S.S.S
InChIInChI=1S/3C16H24N4O.3C15H22N4O2.6H2S/c1-3-4-7-12(9-10-21)18-15-14-11(2)6-5-8-13(14)19-16(17)20-15;1-3-4-5-12(8-9-21)18-15-13-10-11(2)6-7-14(13)19-16(17)20-15;1-3-4-5-12(8-9-21)18-15-13-7-6-11(2)10-14(13)19-16(17)20-15;1-3-4-10(7-8-20)17-14-12-6-5-11(21-2)9-13(12)18-15(16)19-14;1-3-4-5-10(9-20)17-14-12-8-11(21-2)6-7-13(12)18-15(16)19-14;1-3-4-5-10(9-20)17-14-12-7-6-11(21-2)8-13(12)18-15(16)19-14;;;;;;/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3,(H3,17,18,19,20);2*6-7,10,12,21H,3-5,8-9H2,1-2H3,(H3,17,18,19,20);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);2*6-8,10,20H,3-5,9H2,1-2H3,(H3,16,17,18,19);6*1H2/t3*12-;3*10-;;;;;;/m000000....../s1
InChIKeyMVCJEGBXYHUWKI-CLKSHFJFSA-N
XLogP15.85
TPSA532.05 Ų
H-Bond Donors18
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001940.78
LogP ≤ 515.85
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1033

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

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Related Compounds

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
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
Methylsulfinylmethane;tetrakis(5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine);trihydrate
CID 139057946
6,7-dimethoxy-4-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]quinazoline;[2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanol
CID 69454426
5-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[[(2-chloroquinazolin-4-yl)amino]-(4-methoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 87481655
6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-piperidin-1-ylquinazolin-2-amine;6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine
CID 87637464
6,7-dimethoxy-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine
CID 87638029
6,7-dimethoxy-N-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-piperidin-1-ylquinazolin-2-amine;6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine
CID 87638079
N-[1-[(3,4-diethoxyphenyl)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 87638678
N-[1-[(3-butoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-amine;6,7-dimethoxy-4-morpholin-4-yl-N-piperidin-4-ylquinazolin-2-amine
CID 87638724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane?
The IUPAC name of (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane (CID 159680134) is (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane.
What is the SMILES notation for (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane?
The canonical SMILES for (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane is CCCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12.CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12.CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12.CCCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.CCCC[C@@H](CO)Nc1nc(N)nc2ccc(OC)cc12.CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12.S.S.S.S.S.S.
What is the InChIKey of (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane?
The InChIKey is MVCJEGBXYHUWKI-CLKSHFJFSA-N. The full InChI is InChI=1S/3C16H24N4O.3C15H22N4O2.6H2S/c1-3-4-7-12(9-10-21)18-15-14-11(2)6-5-8-13(14)19-16(17)20-15;1-3-4-5-12(8-9-21)18-15-13-10-11(2)6-7-14(13)19-16(17)20-15;1-3-4-5-12(8-9-21)18-15-13-7-6-11(2)10-14(13)19-16(17)20-15;1-3-4-10(7-8-20)17-14-12-6-5-11(21-2)9-13(12)18-15(16)19-14;1-3-4-5-10(9-20)17-14-12-8-11(21-2)6-7-13(12)18-15(16)19-14;1-3-4-5-10(9-20)17-14-12-7-6-11(21-2)8-13(12)18-15(16)19-14;;;;;;/h5-6,8,12,21H,3-4,7,9-10H2,1-2H3,(H3,17,18,19,20);2*6-7,10,12,21H,3-5,8-9H2,1-2H3,(H3,17,18,19,20);5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19);2*6-8,10,20H,3-5,9H2,1-2H3,(H3,16,17,18,19);6*1H2/t3*12-;3*10-;;;;;;/m000000....../s1.
What are the key properties of (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane?
(2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane has a molecular weight of 1940.78 g/mol, XLogP of 15.85, 42 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-6-methoxyquinazolin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;(3S)-3-[(2-amino-5-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]heptan-1-ol;(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]heptan-1-ol;sulfane is sourced from PubChem (CID 159680134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).