1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide

C8H10ClN5O3S — CID 168719034

IUPAC1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNc1cnc(Cl)nc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C8H10ClN5O3S/c9-8-12-2-5(10)7(13-8)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3,10H2,(H2,11,16,17)
InChIKeyRVPRGXXXYYLSJB-UHFFFAOYSA-N
MW291.72 g/mol
LogP-0.89
Rot. Bonds2

About 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide

1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719034) has the molecular formula C8H10ClN5O3S and a molecular weight of 291.72 g/mol. Its IUPAC name is 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719034
Molecular FormulaC8H10ClN5O3S
Molecular Weight291.72 g/mol
Exact Mass291.02
IUPAC Name1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNc1cnc(Cl)nc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C8H10ClN5O3S/c9-8-12-2-5(10)7(13-8)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3,10H2,(H2,11,16,17)
InChIKeyRVPRGXXXYYLSJB-UHFFFAOYSA-N
XLogP-0.89
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
1-(2-chloro-5-nitropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719060
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719093
1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718581
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717468
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
CID 168700844
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168719034) is 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide is Nc1cnc(Cl)nc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is RVPRGXXXYYLSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O3S/c9-8-12-2-5(10)7(13-8)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3,10H2,(H2,11,16,17).
What are the key properties of 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 291.72 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).