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

C13H24N4O — CID 114009546

IUPAC6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
SMILESCCNc1ncnc(NCCCCCCO)c1C
InChIInChI=1S/C13H24N4O/c1-3-14-12-11(2)13(17-10-16-12)15-8-6-4-5-7-9-18/h10,18H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyWRDJRIANOONMFC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.18
Rot. Bonds9

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

6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 114009546) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
PubChem CID114009546
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
SMILESCCNc1ncnc(NCCCCCCO)c1C
InChIInChI=1S/C13H24N4O/c1-3-14-12-11(2)13(17-10-16-12)15-8-6-4-5-7-9-18/h10,18H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyWRDJRIANOONMFC-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
2-[2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825941
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042300
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
5-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324058
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol (CID 114009546) is 6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol is CCNc1ncnc(NCCCCCCO)c1C.
What is the InChIKey of 6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is WRDJRIANOONMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-14-12-11(2)13(17-10-16-12)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-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol?
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 114009546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).