6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol

C11H20N4O2 — CID 114053267

IUPAC6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol
SMILESCOc1cc(NCCCCCCO)nc(N)n1
InChIInChI=1S/C11H20N4O2/c1-17-10-8-9(14-11(12)15-10)13-6-4-2-3-5-7-16/h8,16H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyWZAIWWGULQSMJV-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.03
Rot. Bonds8

About 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol

6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 114053267) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol
PubChem CID114053267
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol
SMILESCOc1cc(NCCCCCCO)nc(N)n1
InChIInChI=1S/C11H20N4O2/c1-17-10-8-9(14-11(12)15-10)13-6-4-2-3-5-7-16/h8,16H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyWZAIWWGULQSMJV-UHFFFAOYSA-N
XLogP1.03
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol (CID 114053267) is 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol is COc1cc(NCCCCCCO)nc(N)n1.
What is the InChIKey of 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is WZAIWWGULQSMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-17-10-8-9(14-11(12)15-10)13-6-4-2-3-5-7-16/h8,16H,2-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol?
6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-6-methoxypyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 114053267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).