2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide

C11H14ClN3O3 — CID 114582387

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NC1CCOCC1
InChIInChI=1S/C11H14ClN3O3/c12-9-5-11(17)15(7-13-9)6-10(16)14-8-1-3-18-4-2-8/h5,7-8H,1-4,6H2,(H,14,16)
InChIKeyYTYOOXJKXDSKAI-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.19
Rot. Bonds3

About 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 114582387) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID114582387
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NC1CCOCC1
InChIInChI=1S/C11H14ClN3O3/c12-9-5-11(17)15(7-13-9)6-10(16)14-8-1-3-18-4-2-8/h5,7-8H,1-4,6H2,(H,14,16)
InChIKeyYTYOOXJKXDSKAI-UHFFFAOYSA-N
XLogP0.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide (CID 114582387) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide is O=C(Cn1cnc(Cl)cc1=O)NC1CCOCC1.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is YTYOOXJKXDSKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-9-5-11(17)15(7-13-9)6-10(16)14-8-1-3-18-4-2-8/h5,7-8H,1-4,6H2,(H,14,16).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 271.70 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 114582387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).