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

C7H6Cl2N4O3 — CID 114582909

IUPACN-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N4O3/c8-4-5(9)11-2-13(6(4)15)1-3(14)12-7(10)16/h2H,1H2,(H3,10,12,14,16)
InChIKeyHDLCJKQJQYULHX-UHFFFAOYSA-N
MW265.06 g/mol
LogP-0.25
Rot. Bonds2

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

N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114582909) has the molecular formula C7H6Cl2N4O3 and a molecular weight of 265.06 g/mol. Its IUPAC name is N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
PubChem CID114582909
Molecular FormulaC7H6Cl2N4O3
Molecular Weight265.06 g/mol
Exact Mass263.98
IUPAC NameN-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N4O3/c8-4-5(9)11-2-13(6(4)15)1-3(14)12-7(10)16/h2H,1H2,(H3,10,12,14,16)
InChIKeyHDLCJKQJQYULHX-UHFFFAOYSA-N
XLogP-0.25
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 114583240
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
N-carbamoyl-2-(6,8-dibromo-4-oxoquinazolin-3-yl)acetamide
CID 9136137
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
N-carbamoyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626262
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114583609
4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114583147
5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
2-(4,5-dichloroimidazol-1-yl)acetohydrazide
CID 2778465
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide (CID 114582909) is N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide is NC(=O)NC(=O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is HDLCJKQJQYULHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N4O3/c8-4-5(9)11-2-13(6(4)15)1-3(14)12-7(10)16/h2H,1H2,(H3,10,12,14,16).
What are the key properties of N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide?
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 265.06 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114582909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).