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

C10H16N4O2 — CID 129239112

IUPAC4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C10H16N4O2/c1-13-3-5-14(6-4-13)10-11-8(15)7-9(12-10)16-2/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyGFCCFJJONHYIJD-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.47
Rot. Bonds2

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

4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 129239112) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID129239112
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C10H16N4O2/c1-13-3-5-14(6-4-13)10-11-8(15)7-9(12-10)16-2/h7H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyGFCCFJJONHYIJD-UHFFFAOYSA-N
XLogP-0.47
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 129239112) is 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(N2CCN(C)CC2)n1.
What is the InChIKey of 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is GFCCFJJONHYIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13-3-5-14(6-4-13)10-11-8(15)7-9(12-10)16-2/h7H,3-6H2,1-2H3,(H,11,12,15).
What are the key properties of 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 129239112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).