5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione

C11H18N4O3 — CID 642664

IUPAC5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CN2CCN(CCO)CC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c16-6-5-14-1-3-15(4-2-14)8-9-7-12-11(18)13-10(9)17/h7,16H,1-6,8H2,(H2,12,13,17,18)
InChIKeyOYFJUXSMZRWYGS-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.83
Rot. Bonds4

About 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione

5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 642664) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID642664
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CN2CCN(CCO)CC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c16-6-5-14-1-3-15(4-2-14)8-9-7-12-11(18)13-10(9)17/h7,16H,1-6,8H2,(H2,12,13,17,18)
InChIKeyOYFJUXSMZRWYGS-UHFFFAOYSA-N
XLogP-1.83
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
5-[(2-hydroxyethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 72711413
5-(4-Methylpiperazinomethyl)uracil
CID 15031088
(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
CID 5383382
5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 54603578
5-(piperazin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dione dihydrochloride
CID 71308048
1-[6-[(3-Hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 70648339
1-[2-Hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]-5-methylpyrimidine-2,4-dione
CID 73672233
1-[2-Hydroxy-3-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)propyl]-5-methylpyrimidine-2,4-dione
CID 123770337
1-[1-Hydroxy-2-(methylamino)ethyl]-5-methylpyrimidine-2,4-dione
CID 123894892
1-(2-hydroxyethoxymethyl)-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 135211585
5-[[Bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
CID 296585

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione (CID 642664) is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CN2CCN(CCO)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OYFJUXSMZRWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c16-6-5-14-1-3-15(4-2-14)8-9-7-12-11(18)13-10(9)17/h7,16H,1-6,8H2,(H2,12,13,17,18).
What are the key properties of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of -1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 642664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).