2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide

C8H10ClN3O3 — CID 15585336

IUPAC2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide
SMILESCOc1ncnc(OC)c1NC(=O)CCl
InChIInChI=1S/C8H10ClN3O3/c1-14-7-6(12-5(13)3-9)8(15-2)11-4-10-7/h4H,3H2,1-2H3,(H,12,13)
InChIKeyJNWRIQZKBURPRL-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.67
Rot. Bonds4

About 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide

2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide (PubChem CID 15585336) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide
PubChem CID15585336
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide
SMILESCOc1ncnc(OC)c1NC(=O)CCl
InChIInChI=1S/C8H10ClN3O3/c1-14-7-6(12-5(13)3-9)8(15-2)11-4-10-7/h4H,3H2,1-2H3,(H,12,13)
InChIKeyJNWRIQZKBURPRL-UHFFFAOYSA-N
XLogP0.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide (CID 15585336) is 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide is COc1ncnc(OC)c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide?
The InChIKey is JNWRIQZKBURPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-14-7-6(12-5(13)3-9)8(15-2)11-4-10-7/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide?
2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide has a molecular weight of 231.64 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,6-dimethoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 15585336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).