5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol

C12H22N4O — CID 107324238

IUPAC5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCc1nc(NC)cc(NCCCCCO)n1
InChIInChI=1S/C12H22N4O/c1-3-10-15-11(13-2)9-12(16-10)14-7-5-4-6-8-17/h9,17H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyGGKOESLJHHTGND-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds8

About 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol

5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 107324238) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID107324238
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCc1nc(NC)cc(NCCCCCO)n1
InChIInChI=1S/C12H22N4O/c1-3-10-15-11(13-2)9-12(16-10)14-7-5-4-6-8-17/h9,17H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyGGKOESLJHHTGND-UHFFFAOYSA-N
XLogP1.66
TPSA70.07 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 ≤ 51.66
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

6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
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 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol (CID 107324238) is 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol is CCc1nc(NC)cc(NCCCCCO)n1.
What is the InChIKey of 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is GGKOESLJHHTGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10-15-11(13-2)9-12(16-10)14-7-5-4-6-8-17/h9,17H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 107324238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).