5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C11H18N4O3 — CID 57238367

IUPAC5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCOc1c(O)nc(N2CCNCC2C)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-3-18-8-9(16)13-11(14-10(8)17)15-5-4-12-6-7(15)2/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeyUFNBOPBFRNQIFI-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.33
Rot. Bonds3

About 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 57238367) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID57238367
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCOc1c(O)nc(N2CCNCC2C)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-3-18-8-9(16)13-11(14-10(8)17)15-5-4-12-6-7(15)2/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeyUFNBOPBFRNQIFI-UHFFFAOYSA-N
XLogP-0.33
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57205020
4-hydroxy-5-methoxy-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 168922927
4-hydroxy-5-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 13636850
5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845099
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842966
4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136873259
5-methoxy-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879303
4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136948156
4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136958290
5-methoxy-4-[3-(propylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958296
5-methoxy-4-[3-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958307

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 57238367) is 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CCOc1c(O)nc(N2CCNCC2C)[nH]c1=O.
What is the InChIKey of 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UFNBOPBFRNQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-18-8-9(16)13-11(14-10(8)17)15-5-4-12-6-7(15)2/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 57238367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).