1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone

C11H16N4O — CID 83889456

IUPAC1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cncnc1N1CCN(C)CC1
InChIInChI=1S/C11H16N4O/c1-9(16)10-7-12-8-13-11(10)15-5-3-14(2)4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyBLSOWDNQJZAIRN-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.43
Rot. Bonds2

About 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone

1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone (PubChem CID 83889456) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone
PubChem CID83889456
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cncnc1N1CCN(C)CC1
InChIInChI=1S/C11H16N4O/c1-9(16)10-7-12-8-13-11(10)15-5-3-14(2)4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyBLSOWDNQJZAIRN-UHFFFAOYSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone (CID 83889456) is 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone is CC(=O)c1cncnc1N1CCN(C)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone?
The InChIKey is BLSOWDNQJZAIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(16)10-7-12-8-13-11(10)15-5-3-14(2)4-6-15/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone?
1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone has a molecular weight of 220.28 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 83889456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).