6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one

C11H16ClN3O — CID 117260542

IUPAC6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one
SMILESCC(C)N1CCC(c2cnc(=O)[nH]c2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-7(2)15-4-3-8(6-15)9-5-13-11(16)14-10(9)12/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,16)
InChIKeyBPMJUERYHQABJS-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.62
Rot. Bonds2

About 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one

6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one (PubChem CID 117260542) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one
PubChem CID117260542
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one
SMILESCC(C)N1CCC(c2cnc(=O)[nH]c2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-7(2)15-4-3-8(6-15)9-5-13-11(16)14-10(9)12/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,16)
InChIKeyBPMJUERYHQABJS-UHFFFAOYSA-N
XLogP1.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one
CID 117260590
2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
CID 117259825
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117259550
3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4H-1,2,4-oxadiazol-5-one
CID 136643100
5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117258855
4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
CID 117259172
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089818
4-chloro-6-(1-propan-2-ylpyrrolidin-3-yl)pyridazin-3-amine
CID 117105087
3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydropyrrol-5-one
CID 58431013
5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131179
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084987
6-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148270

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one (CID 117260542) is 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one is CC(C)N1CCC(c2cnc(=O)[nH]c2Cl)C1.
What is the InChIKey of 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one?
The InChIKey is BPMJUERYHQABJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(2)15-4-3-8(6-15)9-5-13-11(16)14-10(9)12/h5,7-8H,3-4,6H2,1-2H3,(H,13,14,16).
What are the key properties of 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one?
6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one has a molecular weight of 241.72 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 117260542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).