4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C13H22N4O2 — CID 136978340

IUPAC4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1CN(c2nc[nH]c(=O)c2OC)C(CC)CN1
InChIInChI=1S/C13H22N4O2/c1-4-9-7-17(10(5-2)6-14-9)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyKFYQXNCXGJNEPB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.75
Rot. Bonds4

About 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136978340) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136978340
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1CN(c2nc[nH]c(=O)c2OC)C(CC)CN1
InChIInChI=1S/C13H22N4O2/c1-4-9-7-17(10(5-2)6-14-9)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyKFYQXNCXGJNEPB-UHFFFAOYSA-N
XLogP0.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009571
4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57205020
5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57238367
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713550
4-(2,4-dimethyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726422
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136978340) is 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one is CCC1CN(c2nc[nH]c(=O)c2OC)C(CC)CN1.
What is the InChIKey of 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is KFYQXNCXGJNEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-9-7-17(10(5-2)6-14-9)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18).
What are the key properties of 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).