4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C13H20N4O2 — CID 137008940

IUPAC4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(c2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-9(2)13-14-11(8-12(19)15-13)17-6-4-16(5-7-17)10(3)18/h8-9H,4-7H2,1-3H3,(H,14,15,19)
InChIKeyUJNVZZUFNIOWOI-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.56
Rot. Bonds2

About 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137008940) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137008940
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(c2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-9(2)13-14-11(8-12(19)15-13)17-6-4-16(5-7-17)10(3)18/h8-9H,4-7H2,1-3H3,(H,14,15,19)
InChIKeyUJNVZZUFNIOWOI-UHFFFAOYSA-N
XLogP0.56
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 137008940) is 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(=O)N1CCN(c2cc(=O)[nH]c(C(C)C)n2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UJNVZZUFNIOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)13-14-11(8-12(19)15-13)17-6-4-16(5-7-17)10(3)18/h8-9H,4-7H2,1-3H3,(H,14,15,19).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).