3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide

C9H12ClN3O3 — CID 66424777

IUPAC3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H12ClN3O3/c1-12(2)7(14)3-4-13-5-6(10)8(15)11-9(13)16/h5H,3-4H2,1-2H3,(H,11,15,16)
InChIKeySWAYMQSIJJLEOF-UHFFFAOYSA-N
MW245.67 g/mol
LogP-0.33
Rot. Bonds3

About 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide

3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 66424777) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID66424777
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H12ClN3O3/c1-12(2)7(14)3-4-13-5-6(10)8(15)11-9(13)16/h5H,3-4H2,1-2H3,(H,11,15,16)
InChIKeySWAYMQSIJJLEOF-UHFFFAOYSA-N
XLogP-0.33
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 66424777) is 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is SWAYMQSIJJLEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-12(2)7(14)3-4-13-5-6(10)8(15)11-9(13)16/h5H,3-4H2,1-2H3,(H,11,15,16).
What are the key properties of 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide?
3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 245.67 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 66424777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).