6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol

C13H24N4O — CID 114009544

IUPAC6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCc1nc(NC)cc(NCCCCCCO)n1
InChIInChI=1S/C13H24N4O/c1-3-11-16-12(14-2)10-13(17-11)15-8-6-4-5-7-9-18/h10,18H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyODOKBWHJHQJQEY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.05
Rot. Bonds9

About 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol

6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 114009544) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID114009544
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCc1nc(NC)cc(NCCCCCCO)n1
InChIInChI=1S/C13H24N4O/c1-3-11-16-12(14-2)10-13(17-11)15-8-6-4-5-7-9-18/h10,18H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyODOKBWHJHQJQEY-UHFFFAOYSA-N
XLogP2.05
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.05
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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Related Compounds

5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332284
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80934884
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324083
4-N-[2-(diethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933514
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
CID 83118223
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80933216

Frequently Asked Questions

What is the IUPAC name of 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol (CID 114009544) is 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol is CCc1nc(NC)cc(NCCCCCCO)n1.
What is the InChIKey of 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is ODOKBWHJHQJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-11-16-12(14-2)10-13(17-11)15-8-6-4-5-7-9-18/h10,18H,3-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 114009544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).