2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide

C13H18ClN3O3 — CID 114585284

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESCOc1c(Cl)ncn(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C13H18ClN3O3/c1-20-11-12(14)15-8-17(13(11)19)7-10(18)16-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,16,18)
InChIKeyJPBBQUIGDRQUBX-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.35
Rot. Bonds4

About 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (PubChem CID 114585284) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
PubChem CID114585284
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESCOc1c(Cl)ncn(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C13H18ClN3O3/c1-20-11-12(14)15-8-17(13(11)19)7-10(18)16-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,16,18)
InChIKeyJPBBQUIGDRQUBX-UHFFFAOYSA-N
XLogP1.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (CID 114585284) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide is COc1c(Cl)ncn(CC(=O)NC2CCCCC2)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The InChIKey is JPBBQUIGDRQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-20-11-12(14)15-8-17(13(11)19)7-10(18)16-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,16,18).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide has a molecular weight of 299.76 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 114585284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).