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

C12H18ClN3O3 — CID 114584421

IUPAC2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)NC(C)COC
InChIInChI=1S/C12H18ClN3O3/c1-4-10-15-9(13)5-12(18)16(10)6-11(17)14-8(2)7-19-3/h5,8H,4,6-7H2,1-3H3,(H,14,17)
InChIKeyLONKWLUZLNMJCI-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.61
Rot. Bonds6

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

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 114584421) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID114584421
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)NC(C)COC
InChIInChI=1S/C12H18ClN3O3/c1-4-10-15-9(13)5-12(18)16(10)6-11(17)14-8(2)7-19-3/h5,8H,4,6-7H2,1-3H3,(H,14,17)
InChIKeyLONKWLUZLNMJCI-UHFFFAOYSA-N
XLogP0.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 114581979
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 114584182
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 114584365
6-chloro-2-ethyl-3-(2-methylidenebutyl)pyrimidin-4-one
CID 114584434
6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114584338
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584435
6-chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
6-chloro-2-ethyl-3-(4-methylpentyl)pyrimidin-4-one
CID 114584255
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide
CID 46799043
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 42936563
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63798879

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 114584421) is 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is CCc1nc(Cl)cc(=O)n1CC(=O)NC(C)COC.
What is the InChIKey of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is LONKWLUZLNMJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-4-10-15-9(13)5-12(18)16(10)6-11(17)14-8(2)7-19-3/h5,8H,4,6-7H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 287.75 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 114584421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).