1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C9H8Cl2N4O2 — CID 168698527

IUPAC1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C9H8Cl2N4O2/c10-5-2-6(14-9(11)13-5)15-3-4(8(12)17)1-7(15)16/h2,4H,1,3H2,(H2,12,17)
InChIKeyWXGCEDZZOBZMNO-UHFFFAOYSA-N
MW275.10 g/mol
LogP0.62
Rot. Bonds2

About 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698527) has the molecular formula C9H8Cl2N4O2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698527
Molecular FormulaC9H8Cl2N4O2
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C9H8Cl2N4O2/c10-5-2-6(14-9(11)13-5)15-3-4(8(12)17)1-7(15)16/h2,4H,1,3H2,(H2,12,17)
InChIKeyWXGCEDZZOBZMNO-UHFFFAOYSA-N
XLogP0.62
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697064
1-(2,6-dichloropyrimidin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168502977
S-[1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707375
1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698509
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696114
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696971
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
1-(6-methylpyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697041
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 168698366
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692144

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 168698527) is 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(Cl)nc(Cl)n2)C1.
What is the InChIKey of 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WXGCEDZZOBZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O2/c10-5-2-6(14-9(11)13-5)15-3-4(8(12)17)1-7(15)16/h2,4H,1,3H2,(H2,12,17).
What are the key properties of 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 275.10 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).