5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one

C11H14Cl2N4O2 — CID 114583142

IUPAC5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESCN1CCN(C(=O)Cn2cnc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C11H14Cl2N4O2/c1-15-2-4-16(5-3-15)8(18)6-17-7-14-10(13)9(12)11(17)19/h7H,2-6H2,1H3
InChIKeyJBVFRGFZFYDRNJ-UHFFFAOYSA-N
MW305.17 g/mol
LogP0.32
Rot. Bonds2

About 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one

5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 114583142) has the molecular formula C11H14Cl2N4O2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one
PubChem CID114583142
Molecular FormulaC11H14Cl2N4O2
Molecular Weight305.17 g/mol
Exact Mass304.05
IUPAC Name5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESCN1CCN(C(=O)Cn2cnc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C11H14Cl2N4O2/c1-15-2-4-16(5-3-15)8(18)6-17-7-14-10(13)9(12)11(17)19/h7H,2-6H2,1H3
InChIKeyJBVFRGFZFYDRNJ-UHFFFAOYSA-N
XLogP0.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one (CID 114583142) is 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one is CN1CCN(C(=O)Cn2cnc(Cl)c(Cl)c2=O)CC1.
What is the InChIKey of 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is JBVFRGFZFYDRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O2/c1-15-2-4-16(5-3-15)8(18)6-17-7-14-10(13)9(12)11(17)19/h7H,2-6H2,1H3.
What are the key properties of 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one has a molecular weight of 305.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 114583142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).