5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one

C15H26N4O — CID 135491325

IUPAC5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N2CCN(CC)CC2)[nH]c1=O
InChIInChI=1S/C15H26N4O/c1-4-6-7-13-12(3)16-15(17-14(13)20)19-10-8-18(5-2)9-11-19/h4-11H2,1-3H3,(H,16,17,20)
InChIKeyAQVLYZQXEDHHMG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.56
Rot. Bonds5

About 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one

5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135491325) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135491325
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N2CCN(CC)CC2)[nH]c1=O
InChIInChI=1S/C15H26N4O/c1-4-6-7-13-12(3)16-15(17-14(13)20)19-10-8-18(5-2)9-11-19/h4-11H2,1-3H3,(H,16,17,20)
InChIKeyAQVLYZQXEDHHMG-UHFFFAOYSA-N
XLogP1.56
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135491325) is 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(N2CCN(CC)CC2)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is AQVLYZQXEDHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-6-7-13-12(3)16-15(17-14(13)20)19-10-8-18(5-2)9-11-19/h4-11H2,1-3H3,(H,16,17,20).
What are the key properties of 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).