4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol

C11H19N3O3 — CID 64929900

IUPAC4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol
SMILESCOc1ncnc(OC)c1CNCCC(C)O
InChIInChI=1S/C11H19N3O3/c1-8(15)4-5-12-6-9-10(16-2)13-7-14-11(9)17-3/h7-8,12,15H,4-6H2,1-3H3
InChIKeyFGOGHJSAEJNRGM-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.35
Rot. Bonds7

About 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol

4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol (PubChem CID 64929900) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol
PubChem CID64929900
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol
SMILESCOc1ncnc(OC)c1CNCCC(C)O
InChIInChI=1S/C11H19N3O3/c1-8(15)4-5-12-6-9-10(16-2)13-7-14-11(9)17-3/h7-8,12,15H,4-6H2,1-3H3
InChIKeyFGOGHJSAEJNRGM-UHFFFAOYSA-N
XLogP0.35
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.35
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol?
The IUPAC name of 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol (CID 64929900) is 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol.
What is the SMILES notation for 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol?
The canonical SMILES for 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol is COc1ncnc(OC)c1CNCCC(C)O.
What is the InChIKey of 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol?
The InChIKey is FGOGHJSAEJNRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8(15)4-5-12-6-9-10(16-2)13-7-14-11(9)17-3/h7-8,12,15H,4-6H2,1-3H3.
What are the key properties of 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol?
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol has a molecular weight of 241.29 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol is sourced from PubChem (CID 64929900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).