2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one

C14H24N4O — CID 123861410

IUPAC2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(N2CCN(C(C)(C)C)CC2)[nH]c1=O
InChIInChI=1S/C14H24N4O/c1-5-11-10-15-13(16-12(11)19)17-6-8-18(9-7-17)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,16,19)
InChIKeySTJVNGJXSZFUGK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.25
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one

2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 123861410) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID123861410
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(N2CCN(C(C)(C)C)CC2)[nH]c1=O
InChIInChI=1S/C14H24N4O/c1-5-11-10-15-13(16-12(11)19)17-6-8-18(9-7-17)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,16,19)
InChIKeySTJVNGJXSZFUGK-UHFFFAOYSA-N
XLogP1.25
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135644656
2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 21488452
2-(diethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 58091021
5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 139525588
2-amino-5-methyl-3-[(4-methyl-1-propan-2-ylpiperazin-2-yl)methyl]-1H-pyrimidin-3-ium-6-one
CID 169986060
5-ethyl-2-(4-ethylpiperazin-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 1832032
5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845080
2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82509558
2-(dimethylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82510907
5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 83852427
5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 83852442

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one (CID 123861410) is 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(N2CCN(C(C)(C)C)CC2)[nH]c1=O.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is STJVNGJXSZFUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-11-10-15-13(16-12(11)19)17-6-8-18(9-7-17)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,16,19).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one?
2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 123861410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).