1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide

C10H8ClF3N4O2 — CID 168698509

IUPAC1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2nc(Cl)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H8ClF3N4O2/c11-6-2-5(10(12,13)14)16-9(17-6)18-3-4(8(15)20)1-7(18)19/h2,4H,1,3H2,(H2,15,20)
InChIKeyXAULYAAQELHPJW-UHFFFAOYSA-N
MW308.65 g/mol
LogP0.99
Rot. Bonds2

About 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide

1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698509) has the molecular formula C10H8ClF3N4O2 and a molecular weight of 308.65 g/mol. Its IUPAC name is 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168698509
Molecular FormulaC10H8ClF3N4O2
Molecular Weight308.65 g/mol
Exact Mass308.03
IUPAC Name1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2nc(Cl)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H8ClF3N4O2/c11-6-2-5(10(12,13)14)16-9(17-6)18-3-4(8(15)20)1-7(18)19/h2,4H,1,3H2,(H2,15,20)
InChIKeyXAULYAAQELHPJW-UHFFFAOYSA-N
XLogP0.99
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-4-ethenylpyrrolidin-2-one
CID 168686598
1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698527
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 168698366
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698246
1-[2-chloro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697516
1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696634
1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697899
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697064
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 168698509) is 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2nc(Cl)cc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XAULYAAQELHPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O2/c11-6-2-5(10(12,13)14)16-9(17-6)18-3-4(8(15)20)1-7(18)19/h2,4H,1,3H2,(H2,15,20).
What are the key properties of 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 308.65 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).