4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide

C10H13N3O3 — CID 170798259

IUPAC4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide
SMILESCOc1ncc(C=CCC(N)=O)c(OC)n1
InChIInChI=1S/C10H13N3O3/c1-15-9-7(4-3-5-8(11)14)6-12-10(13-9)16-2/h3-4,6H,5H2,1-2H3,(H2,11,14)
InChIKeyORDRELZRQWYWMN-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.38
Rot. Bonds5

About 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide

4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide (PubChem CID 170798259) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide.

Molecular Properties

Compound Name4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide
PubChem CID170798259
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide
SMILESCOc1ncc(C=CCC(N)=O)c(OC)n1
InChIInChI=1S/C10H13N3O3/c1-15-9-7(4-3-5-8(11)14)6-12-10(13-9)16-2/h3-4,6H,5H2,1-2H3,(H2,11,14)
InChIKeyORDRELZRQWYWMN-UHFFFAOYSA-N
XLogP0.38
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide?
The IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide (CID 170798259) is 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide.
What is the SMILES notation for 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide?
The canonical SMILES for 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide is COc1ncc(C=CCC(N)=O)c(OC)n1.
What is the InChIKey of 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide?
The InChIKey is ORDRELZRQWYWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-9-7(4-3-5-8(11)14)6-12-10(13-9)16-2/h3-4,6H,5H2,1-2H3,(H2,11,14).
What are the key properties of 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide?
4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide has a molecular weight of 223.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide is sourced from PubChem (CID 170798259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).