(2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol

C14H20N4O — CID 122584973

IUPAC(2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C14H20N4O/c1-2-3-6-10(9-19)16-13-11-7-4-5-8-12(11)17-14(15)18-13/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H3,15,16,17,18)/t10-/m0/s1
InChIKeyNJBAKXDOLUIMFA-JTQLQIEISA-N
MW260.34 g/mol
LogP2.17
Rot. Bonds6

About (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol

(2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol (PubChem CID 122584973) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol
PubChem CID122584973
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C14H20N4O/c1-2-3-6-10(9-19)16-13-11-7-4-5-8-12(11)17-14(15)18-13/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H3,15,16,17,18)/t10-/m0/s1
InChIKeyNJBAKXDOLUIMFA-JTQLQIEISA-N
XLogP2.17
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol?
The IUPAC name of (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol (CID 122584973) is (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol is CCCC[C@@H](CO)Nc1nc(N)nc2ccccc12.
What is the InChIKey of (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol?
The InChIKey is NJBAKXDOLUIMFA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-3-6-10(9-19)16-13-11-7-4-5-8-12(11)17-14(15)18-13/h4-5,7-8,10,19H,2-3,6,9H2,1H3,(H3,15,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol?
(2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoquinazolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 122584973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).