5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one

C11H17ClN4O — CID 137008935

IUPAC5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H17ClN4O/c1-2-3-15-4-6-16(7-5-15)10-9(12)11(17)14-8-13-10/h8H,2-7H2,1H3,(H,13,14,17)
InChIKeyMOBNJKUTDNAONM-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.96
Rot. Bonds3

About 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137008935) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID137008935
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H17ClN4O/c1-2-3-15-4-6-16(7-5-15)10-9(12)11(17)14-8-13-10/h8H,2-7H2,1H3,(H,13,14,17)
InChIKeyMOBNJKUTDNAONM-UHFFFAOYSA-N
XLogP0.96
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136979695
5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008987
4-(4-tert-butylpiperazin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009378
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972863
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972692
4-(4-acetyl-1,4-diazepan-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009347
5-chloro-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989957
5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989959
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1H-pyrimidin-6-one
CID 137009629
4-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-1H-pyrimidin-6-one
CID 137001460
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
5-chloro-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977969

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 137008935) is 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one is CCCN1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is MOBNJKUTDNAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-2-3-15-4-6-16(7-5-15)10-9(12)11(17)14-8-13-10/h8H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 256.74 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).