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

C10H14ClN3O2 — CID 114584400

IUPAC3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCCc1nc(Cl)cc(=O)n1CCC(=O)NC
InChIInChI=1S/C10H14ClN3O2/c1-3-8-13-7(11)6-10(16)14(8)5-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyWJWVQBDJHWYBSB-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.60
Rot. Bonds4

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

3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 114584400) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID114584400
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCCc1nc(Cl)cc(=O)n1CCC(=O)NC
InChIInChI=1S/C10H14ClN3O2/c1-3-8-13-7(11)6-10(16)14(8)5-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyWJWVQBDJHWYBSB-UHFFFAOYSA-N
XLogP0.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 114584400) is 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide is CCc1nc(Cl)cc(=O)n1CCC(=O)NC.
What is the InChIKey of 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is WJWVQBDJHWYBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-8-13-7(11)6-10(16)14(8)5-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 243.69 g/mol, XLogP of 0.60, 4 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-methylpropanamide is sourced from PubChem (CID 114584400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).