(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol

C16H24N4O2 — CID 157344193

IUPAC(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@H](CO)Nc1nc(N)nc2cc(OCC)ccc12
InChIInChI=1S/C16H24N4O2/c1-3-5-6-11(10-21)18-15-13-8-7-12(22-4-2)9-14(13)19-16(17)20-15/h7-9,11,21H,3-6,10H2,1-2H3,(H3,17,18,19,20)/t11-/m1/s1
InChIKeyMNJUAAKGKGNPMG-LLVKDONJSA-N
MW304.39 g/mol
LogP2.57
Rot. Bonds8

About (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol

(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol (PubChem CID 157344193) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
PubChem CID157344193
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@H](CO)Nc1nc(N)nc2cc(OCC)ccc12
InChIInChI=1S/C16H24N4O2/c1-3-5-6-11(10-21)18-15-13-8-7-12(22-4-2)9-14(13)19-16(17)20-15/h7-9,11,21H,3-6,10H2,1-2H3,(H3,17,18,19,20)/t11-/m1/s1
InChIKeyMNJUAAKGKGNPMG-LLVKDONJSA-N
XLogP2.57
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 158174222
(2S)-2-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
CID 71041915
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
CID 71041916
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
2-[[2-amino-7-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 156578429
(2S)-2-[[2-amino-5-[(5-bromo-2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 118484054
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
(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
2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122584957
(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 (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol?
The IUPAC name of (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol (CID 157344193) is (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol is CCCC[C@H](CO)Nc1nc(N)nc2cc(OCC)ccc12.
What is the InChIKey of (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol?
The InChIKey is MNJUAAKGKGNPMG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-5-6-11(10-21)18-15-13-8-7-12(22-4-2)9-14(13)19-16(17)20-15/h7-9,11,21H,3-6,10H2,1-2H3,(H3,17,18,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol?
(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol has a molecular weight of 304.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 157344193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).