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

C9H12ClN3O2 — CID 114582291

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-3-11-9(15)6(2)13-5-12-7(10)4-8(13)14/h4-6H,3H2,1-2H3,(H,11,15)
InChIKeyDXPNJNXOLWXRID-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.59
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114582291) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114582291
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-3-11-9(15)6(2)13-5-12-7(10)4-8(13)14/h4-6H,3H2,1-2H3,(H,11,15)
InChIKeyDXPNJNXOLWXRID-UHFFFAOYSA-N
XLogP0.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582323
5-(Methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 54078362
N-(6-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249193
(2S)-2-(6-oxopyrimidin-1-yl)butanamide
CID 141040928
N-(1-methyl-6-oxopyrimidin-5-yl)propanamide
CID 170387111
N-cyclopropyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534907
3-[2-(Methylamino)propyl]pyrimidin-4-one
CID 63767943
3-[2-(Ethylamino)propyl]pyrimidin-4-one
CID 63768483
N-butyl-2-(6-oxopyrimidin-1-yl)acetamide
CID 95921861
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114582291) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is DXPNJNXOLWXRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-3-11-9(15)6(2)13-5-12-7(10)4-8(13)14/h4-6H,3H2,1-2H3,(H,11,15).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 229.67 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114582291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).