5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one

C9H12ClN3O — CID 137008987

IUPAC5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCCC2)c1Cl
InChIInChI=1S/C9H12ClN3O/c10-7-8(11-6-12-9(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14)
InChIKeyIOYWAVARMYEDAK-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.41
Rot. Bonds1

About 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one

5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 137008987) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID137008987
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCCC2)c1Cl
InChIInChI=1S/C9H12ClN3O/c10-7-8(11-6-12-9(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14)
InChIKeyIOYWAVARMYEDAK-UHFFFAOYSA-N
XLogP1.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009232
4-(4-acetyl-1,4-diazepan-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009347
4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-2-one
CID 137009721
5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009591
4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009378
4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973289
5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008935
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
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972863
5-chloro-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979695
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-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one (CID 137008987) is 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is IOYWAVARMYEDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-8(11-6-12-9(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14).
What are the key properties of 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one?
5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 213.67 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).