4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 136948156

IUPAC4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN(C)CC2C)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-8-6-14(2)4-5-15(8)10-9(17-3)11(16)13-7-12-10/h7-8H,4-6H2,1-3H3,(H,12,13,16)
InChIKeyJHVJAUVQCWMAOH-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.08
Rot. Bonds2

About 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136948156) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136948156
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN(C)CC2C)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-8-6-14(2)4-5-15(8)10-9(17-3)11(16)13-7-12-10/h7-8H,4-6H2,1-3H3,(H,12,13,16)
InChIKeyJHVJAUVQCWMAOH-UHFFFAOYSA-N
XLogP-0.08
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136948156) is 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCN(C)CC2C)nc[nH]c1=O.
What is the InChIKey of 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JHVJAUVQCWMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-6-14(2)4-5-15(8)10-9(17-3)11(16)13-7-12-10/h7-8H,4-6H2,1-3H3,(H,12,13,16).
What are the key properties of 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136948156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).