6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol

C13H23N3O3 — CID 107848836

IUPAC6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
SMILESCOc1ncnc(OC)c1CNCCCCCCO
InChIInChI=1S/C13H23N3O3/c1-18-12-11(13(19-2)16-10-15-12)9-14-7-5-3-4-6-8-17/h10,14,17H,3-9H2,1-2H3
InChIKeyLZWSNJWWEOIGKH-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.14
Rot. Bonds10

About 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol

6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol (PubChem CID 107848836) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
PubChem CID107848836
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
SMILESCOc1ncnc(OC)c1CNCCCCCCO
InChIInChI=1S/C13H23N3O3/c1-18-12-11(13(19-2)16-10-15-12)9-14-7-5-3-4-6-8-17/h10,14,17H,3-9H2,1-2H3
InChIKeyLZWSNJWWEOIGKH-UHFFFAOYSA-N
XLogP1.14
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
CID 60864470
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982283
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol
CID 64929900
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
CID 83209239
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-3-methylbutan-1-ol
CID 66092673
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-4-methylpentan-1-ol
CID 61246853
1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103677
3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66168958
2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 63824614
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 60924156
2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 60919921

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol (CID 107848836) is 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol is COc1ncnc(OC)c1CNCCCCCCO.
What is the InChIKey of 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol?
The InChIKey is LZWSNJWWEOIGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-18-12-11(13(19-2)16-10-15-12)9-14-7-5-3-4-6-8-17/h10,14,17H,3-9H2,1-2H3.
What are the key properties of 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol?
6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 1.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 107848836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).