3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide

C11H17N3O4 — CID 4100972

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide
SMILESCOc1cc(OC)nc(CCC(=O)N(C)OC)n1
InChIInChI=1S/C11H17N3O4/c1-14(18-4)11(15)6-5-8-12-9(16-2)7-10(13-8)17-3/h7H,5-6H2,1-4H3
InChIKeyPKPJHJYSDKHHLQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.45
Rot. Bonds6

About 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide

3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide (PubChem CID 4100972) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide
PubChem CID4100972
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide
SMILESCOc1cc(OC)nc(CCC(=O)N(C)OC)n1
InChIInChI=1S/C11H17N3O4/c1-14(18-4)11(15)6-5-8-12-9(16-2)7-10(13-8)17-3/h7H,5-6H2,1-4H3
InChIKeyPKPJHJYSDKHHLQ-UHFFFAOYSA-N
XLogP0.45
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4,6-Dimethoxypyrimidin-2-yl)pyrrolidine-2,5-dione
CID 90342170
1-(4,6-Dimethoxypyrimidin-2-yl)propan-2-one
CID 11264052
3-(4,6-Dimethoxypyrimidin-2-yl)propanoic acid
CID 2736220
4,6-Dimethoxy-2-methylpyrimidine
CID 11040904
Methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate
CID 4252883
2-Ethenyl-4,6-dimethoxypyrimidine
CID 71607267
1-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 4114157
3-(4,6-dimethoxypyrimidin-2-yl)-N-(2-methoxyethyl)propanamide
CID 5001069
Methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 10921798
Ethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 11770151
2-(4,6-dimethoxypyrimidin-2-yl)-N-methoxymethyl-3-methyl-N-methylsulfonylbutyric acid amide
CID 15239784
3-(4,6-Dimethoxypyrimidin-2-yl)propanamide
CID 17984094

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide (CID 4100972) is 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide is COc1cc(OC)nc(CCC(=O)N(C)OC)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide?
The InChIKey is PKPJHJYSDKHHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-14(18-4)11(15)6-5-8-12-9(16-2)7-10(13-8)17-3/h7H,5-6H2,1-4H3.
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide?
3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide has a molecular weight of 255.27 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 4100972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).