4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C11H18N4O — CID 136957880

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CN(c2cc(=O)[nH]cn2)CCN1C
InChIInChI=1S/C11H18N4O/c1-3-9-7-15(5-4-14(9)2)10-6-11(16)13-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,16)
InChIKeyXVPGLUIEEFIJOG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.30
Rot. Bonds2

About 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957880) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957880
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CN(c2cc(=O)[nH]cn2)CCN1C
InChIInChI=1S/C11H18N4O/c1-3-9-7-15(5-4-14(9)2)10-6-11(16)13-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,16)
InChIKeyXVPGLUIEEFIJOG-UHFFFAOYSA-N
XLogP0.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136957880) is 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CCC1CN(c2cc(=O)[nH]cn2)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is XVPGLUIEEFIJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-9-7-15(5-4-14(9)2)10-6-11(16)13-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,16).
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 222.29 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-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).