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

C13H20N4O2 — CID 60692369

IUPAC4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H20N4O2/c1-9-11(10(2)15-13(19)14-9)8-12(18)17-6-4-16(3)5-7-17/h4-8H2,1-3H3,(H,14,15,19)
InChIKeyDRRUGTKYQAMTDI-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.30
Rot. Bonds2

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

4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one (PubChem CID 60692369) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one
PubChem CID60692369
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H20N4O2/c1-9-11(10(2)15-13(19)14-9)8-12(18)17-6-4-16(3)5-7-17/h4-8H2,1-3H3,(H,14,15,19)
InChIKeyDRRUGTKYQAMTDI-UHFFFAOYSA-N
XLogP-0.30
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one (CID 60692369) is 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCN(C)CC1.
What is the InChIKey of 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one?
The InChIKey is DRRUGTKYQAMTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-11(10(2)15-13(19)14-9)8-12(18)17-6-4-16(3)5-7-17/h4-8H2,1-3H3,(H,14,15,19).
What are the key properties of 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one?
4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one has a molecular weight of 264.33 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 60692369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).