3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide

C11H16ClN3O2 — CID 114584435

IUPAC3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(CC)nc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-3-9-14-8(12)7-11(17)15(9)6-5-10(16)13-4-2/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyNHSYKMQEPKCOHI-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.99
Rot. Bonds5

About 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide

3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114584435) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114584435
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1c(CC)nc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-3-9-14-8(12)7-11(17)15(9)6-5-10(16)13-4-2/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyNHSYKMQEPKCOHI-UHFFFAOYSA-N
XLogP0.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584749
6-chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
3-but-3-enyl-6-chloro-2-ethylpyrimidin-4-one
CID 114584259
6-chloro-2-ethyl-3-hept-6-enylpyrimidin-4-one
CID 107010014
6-chloro-3-(3-ethoxypropyl)-2-ethylpyrimidin-4-one
CID 114584383
6-chloro-2-ethyl-3-(2-methylidenebutyl)pyrimidin-4-one
CID 114584434
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 114584421
6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114584338
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 114584365
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-methylpropanamide
CID 114585014
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 114584182
3-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 113459222

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114584435) is 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1c(CC)nc(Cl)cc1=O.
What is the InChIKey of 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is NHSYKMQEPKCOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-9-14-8(12)7-11(17)15(9)6-5-10(16)13-4-2/h7H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114584435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).