6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol

C12H22N4O — CID 107855342

IUPAC6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
SMILESCCc1c(N)ncnc1NCCCCCCO
InChIInChI=1S/C12H22N4O/c1-2-10-11(13)15-9-16-12(10)14-7-5-3-4-6-8-17/h9,17H,2-8H2,1H3,(H3,13,14,15,16)
InChIKeyGAWMJQRBECKTKO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.59
Rot. Bonds8

About 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol

6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 107855342) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
PubChem CID107855342
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
SMILESCCc1c(N)ncnc1NCCCCCCO
InChIInChI=1S/C12H22N4O/c1-2-10-11(13)15-9-16-12(10)14-7-5-3-4-6-8-17/h9,17H,2-8H2,1H3,(H3,13,14,15,16)
InChIKeyGAWMJQRBECKTKO-UHFFFAOYSA-N
XLogP1.59
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.59
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-5-ethylpyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol (CID 107855342) is 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol is CCc1c(N)ncnc1NCCCCCCO.
What is the InChIKey of 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is GAWMJQRBECKTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-10-11(13)15-9-16-12(10)14-7-5-3-4-6-8-17/h9,17H,2-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol?
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 107855342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).