5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C13H19ClN4O — CID 137009591

IUPAC5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(N3CCCCC3)C2)c1Cl
InChIInChI=1S/C13H19ClN4O/c14-11-12(15-9-16-13(11)19)18-7-4-10(8-18)17-5-2-1-3-6-17/h9-10H,1-8H2,(H,15,16,19)
InChIKeyBMJSUAZGBINCME-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.49
Rot. Bonds2

About 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137009591) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137009591
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC(N3CCCCC3)C2)c1Cl
InChIInChI=1S/C13H19ClN4O/c14-11-12(15-9-16-13(11)19)18-7-4-10(8-18)17-5-2-1-3-6-17/h9-10H,1-8H2,(H,15,16,19)
InChIKeyBMJSUAZGBINCME-UHFFFAOYSA-N
XLogP1.49
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009232
5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957820
5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008987
5-bromo-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957573
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973289
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 137012740
4-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-1H-pyrimidin-6-one
CID 137001460
5-chloro-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879306
5-chloro-4-[3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978058
5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989959

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 137009591) is 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC(N3CCCCC3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BMJSUAZGBINCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-11-12(15-9-16-13(11)19)18-7-4-10(8-18)17-5-2-1-3-6-17/h9-10H,1-8H2,(H,15,16,19).
What are the key properties of 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 282.77 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).