1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one

C9H9Cl2N3O — CID 170969547

IUPAC1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cnc(Cl)nc1Cl
InChIInChI=1S/C9H9Cl2N3O/c10-8-6(4-12-9(11)13-8)5-14-3-1-2-7(14)15/h4H,1-3,5H2
InChIKeyDFBLXFUDXNHUSC-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.91
Rot. Bonds2

About 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one

1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one (PubChem CID 170969547) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
PubChem CID170969547
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cnc(Cl)nc1Cl
InChIInChI=1S/C9H9Cl2N3O/c10-8-6(4-12-9(11)13-8)5-14-3-1-2-7(14)15/h4H,1-3,5H2
InChIKeyDFBLXFUDXNHUSC-UHFFFAOYSA-N
XLogP1.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dichloropyrimidin-5-yl)methyl]thiomorpholin-3-one
CID 170969904
1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
CID 62187422
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one
CID 170969924
1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
CID 103054490
1-[3-[[2-chloro-5-(dimethylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 21081039
2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine
CID 118943873
1-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]piperidin-2-one
CID 155269816
2,4-dichloro-5-[(2-methylpiperazin-1-yl)methyl]pyrimidine
CID 71639556
1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 62464540
1-[(2-bromo-3-pyridinyl)methyl]piperidin-2-one
CID 58268580
2-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrimidine-5-sulfonamide
CID 61042027
1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
CID 79765687

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one (CID 170969547) is 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cnc(Cl)nc1Cl.
What is the InChIKey of 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is DFBLXFUDXNHUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c10-8-6(4-12-9(11)13-8)5-14-3-1-2-7(14)15/h4H,1-3,5H2.
What are the key properties of 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one?
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 246.10 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 170969547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).