(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane

C15H24N4O2S — CID 158174222

IUPAC(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.S
InChIInChI=1S/C15H22N4O2.H2S/c1-3-4-5-10(9-20)17-14-12-7-6-11(21-2)8-13(12)18-15(16)19-14;/h6-8,10,20H,3-5,9H2,1-2H3,(H3,16,17,18,19);1H2/t10-;/m0./s1
InChIKeyFXUSNCBWXMAFNC-PPHPATTJSA-N
MW324.45 g/mol
LogP2.30
Rot. Bonds7

About (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane

(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane (PubChem CID 158174222) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane.

Molecular Properties

Compound Name(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
PubChem CID158174222
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.S
InChIInChI=1S/C15H22N4O2.H2S/c1-3-4-5-10(9-20)17-14-12-7-6-11(21-2)8-13(12)18-15(16)19-14;/h6-8,10,20H,3-5,9H2,1-2H3,(H3,16,17,18,19);1H2/t10-;/m0./s1
InChIKeyFXUSNCBWXMAFNC-PPHPATTJSA-N
XLogP2.30
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
CID 157344193
(2S)-2-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
CID 71041915
methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
CID 71041916
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2R)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine
CID 159208958
(2S)-2-[[2-amino-5-[(5-bromo-2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 118484054
(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2R)-1-aminohexan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(2S)-1-aminopropan-2-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-butyl-7-chloropyrido[3,2-d]pyrimidine-2,4-diamine
CID 167646127
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The IUPAC name of (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane (CID 158174222) is (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane.
What is the SMILES notation for (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The canonical SMILES for (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane is CCCC[C@@H](CO)Nc1nc(N)nc2cc(OC)ccc12.S.
What is the InChIKey of (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane?
The InChIKey is FXUSNCBWXMAFNC-PPHPATTJSA-N. The full InChI is InChI=1S/C15H22N4O2.H2S/c1-3-4-5-10(9-20)17-14-12-7-6-11(21-2)8-13(12)18-15(16)19-14;/h6-8,10,20H,3-5,9H2,1-2H3,(H3,16,17,18,19);1H2/t10-;/m0./s1.
What are the key properties of (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane?
(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane has a molecular weight of 324.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane is sourced from PubChem (CID 158174222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).