5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one

C13H22N4O2 — CID 63555367

IUPAC5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-4-9-10(18)15-12(16-11(9)19)13(2,3)17-7-5-14-6-8-17/h14H,4-8H2,1-3H3,(H2,15,16,18,19)
InChIKeyREZYZWTZHXWBJH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.18
Rot. Bonds3

About 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 63555367) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
PubChem CID63555367
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(C)(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-4-9-10(18)15-12(16-11(9)19)13(2,3)17-7-5-14-6-8-17/h14H,4-8H2,1-3H3,(H2,15,16,18,19)
InChIKeyREZYZWTZHXWBJH-UHFFFAOYSA-N
XLogP0.18
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 80550863
5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
CID 80550982
5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57102753
3-Tert-butyl-2-hydroxy-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
CID 172500581
5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 55221351
4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propyl-1H-pyrimidin-6-one
CID 55221461
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221567
2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553557
5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553562
4-hydroxy-5-propan-2-yl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553564
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63553572
4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63553746

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one (CID 63555367) is 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(C(C)(C)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is REZYZWTZHXWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-9-10(18)15-12(16-11(9)19)13(2,3)17-7-5-14-6-8-17/h14H,4-8H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63555367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).