5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H16N4O — CID 131881386

IUPAC5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1cnc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C10H16N4O/c1-8-7-11-10(12-9(8)15)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyUUMAJGNSSFKESL-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.17
Rot. Bonds1

About 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 131881386) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID131881386
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1cnc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C10H16N4O/c1-8-7-11-10(12-9(8)15)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyUUMAJGNSSFKESL-UHFFFAOYSA-N
XLogP-0.17
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 131881386) is 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1cnc(N2CCN(C)CC2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UUMAJGNSSFKESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-7-11-10(12-9(8)15)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,11,12,15).
What are the key properties of 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 131881386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).