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

C12H16ClN3O3 — CID 114585476

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
SMILESCOc1c(Cl)ncn(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C12H16ClN3O3/c1-19-10-11(13)14-7-16(12(10)18)6-9(17)15-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyQQDRVBNXGQYIID-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.96
Rot. Bonds4

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

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide (PubChem CID 114585476) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
PubChem CID114585476
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
SMILESCOc1c(Cl)ncn(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C12H16ClN3O3/c1-19-10-11(13)14-7-16(12(10)18)6-9(17)15-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyQQDRVBNXGQYIID-UHFFFAOYSA-N
XLogP0.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 113604641
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 113604643
N-butan-2-yl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide
CID 113604649
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604650
N-butyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide
CID 113604657
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604662
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-prop-2-enylpropanamide
CID 113604670
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113604690
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)propanamide
CID 113604691
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114585126
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114585131
2-(4-Chloro-5-methoxy-6-oxopyrimidin-1-yl)propanamide
CID 114585138

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide (CID 114585476) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide is COc1c(Cl)ncn(CC(=O)NC2CCCC2)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The InChIKey is QQDRVBNXGQYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-19-10-11(13)14-7-16(12(10)18)6-9(17)15-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide has a molecular weight of 285.73 g/mol, XLogP of 0.96, 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-cyclopentylacetamide is sourced from PubChem (CID 114585476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).