4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide

C11H18N4O3 — CID 60864470

IUPAC4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
SMILESCOc1ncnc(OC)c1CNCCCC(N)=O
InChIInChI=1S/C11H18N4O3/c1-17-10-8(11(18-2)15-7-14-10)6-13-5-3-4-9(12)16/h7,13H,3-6H2,1-2H3,(H2,12,16)
InChIKeyRQACKGFKOKCYON-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.15
Rot. Bonds8

About 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide

4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide (PubChem CID 60864470) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
PubChem CID60864470
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
SMILESCOc1ncnc(OC)c1CNCCCC(N)=O
InChIInChI=1S/C11H18N4O3/c1-17-10-8(11(18-2)15-7-14-10)6-13-5-3-4-9(12)16/h7,13H,3-6H2,1-2H3,(H2,12,16)
InChIKeyRQACKGFKOKCYON-UHFFFAOYSA-N
XLogP-0.15
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.15
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]butanamide?
The IUPAC name of 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide (CID 60864470) is 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide?
The canonical SMILES for 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide is COc1ncnc(OC)c1CNCCCC(N)=O.
What is the InChIKey of 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide?
The InChIKey is RQACKGFKOKCYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-17-10-8(11(18-2)15-7-14-10)6-13-5-3-4-9(12)16/h7,13H,3-6H2,1-2H3,(H2,12,16).
What are the key properties of 4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide?
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide has a molecular weight of 254.29 g/mol, XLogP of -0.15, 8 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]butanamide is sourced from PubChem (CID 60864470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).