3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide

C12H19N3O4 — CID 5001069

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H19N3O4/c1-17-7-6-13-10(16)5-4-9-14-11(18-2)8-12(15-9)19-3/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeySOHXYHLBAXCPRV-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.19
Rot. Bonds8

About 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide

3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 5001069) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide
PubChem CID5001069
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1nc(OC)cc(OC)n1
InChIInChI=1S/C12H19N3O4/c1-17-7-6-13-10(16)5-4-9-14-11(18-2)8-12(15-9)19-3/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeySOHXYHLBAXCPRV-UHFFFAOYSA-N
XLogP0.19
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
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 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide (CID 5001069) is 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1nc(OC)cc(OC)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is SOHXYHLBAXCPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-17-7-6-13-10(16)5-4-9-14-11(18-2)8-12(15-9)19-3/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide?
3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 269.30 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 5001069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).