2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

C9H11Cl2N3O2 — CID 114582966

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-5(8(15)13(2)3)14-4-12-7(11)6(10)9(14)16/h4-5H,1-3H3
InChIKeyROMUCFNENWKCAK-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.20
Rot. Bonds2

About 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114582966) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114582966
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-5(8(15)13(2)3)14-4-12-7(11)6(10)9(14)16/h4-5H,1-3H3
InChIKeyROMUCFNENWKCAK-UHFFFAOYSA-N
XLogP1.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604307
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113604337
5,6-Dichloro-3-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrimidin-4-one
CID 113604343
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604350
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604360
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604367

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114582966) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is ROMUCFNENWKCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c1-5(8(15)13(2)3)14-4-12-7(11)6(10)9(14)16/h4-5H,1-3H3.
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 264.11 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 114582966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).