6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol

C12H22N4O — CID 114009519

IUPAC6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
SMILESCc1nc(N)c(C)c(NCCCCCCO)n1
InChIInChI=1S/C12H22N4O/c1-9-11(13)15-10(2)16-12(9)14-7-5-3-4-6-8-17/h17H,3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyVVXXJIIGFWHTNS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.64
Rot. Bonds7

About 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol

6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 114009519) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
PubChem CID114009519
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
SMILESCc1nc(N)c(C)c(NCCCCCCO)n1
InChIInChI=1S/C12H22N4O/c1-9-11(13)15-10(2)16-12(9)14-7-5-3-4-6-8-17/h17H,3-8H2,1-2H3,(H3,13,14,15,16)
InChIKeyVVXXJIIGFWHTNS-UHFFFAOYSA-N
XLogP1.64
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol (CID 114009519) is 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol is Cc1nc(N)c(C)c(NCCCCCCO)n1.
What is the InChIKey of 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is VVXXJIIGFWHTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(13)15-10(2)16-12(9)14-7-5-3-4-6-8-17/h17H,3-8H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol?
6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 114009519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).