6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C12H19N4O4+ — CID 2149951

IUPAC6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CC[NH+](CCO)CC1
InChIInChI=1S/C12H18N4O4/c17-6-5-15-1-3-16(4-2-15)11(19)8-9-7-10(18)14-12(20)13-9/h7,17H,1-6,8H2,(H2,13,14,18,20)/p+1
InChIKeyMKRQJMZBBVCGHQ-UHFFFAOYSA-O
MW283.31 g/mol
LogP-3.67
Rot. Bonds4

About 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 2149951) has the molecular formula C12H19N4O4+ and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID2149951
Molecular FormulaC12H19N4O4+
Molecular Weight283.31 g/mol
Exact Mass283.14
IUPAC Name6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CC[NH+](CCO)CC1
InChIInChI=1S/C12H18N4O4/c17-6-5-15-1-3-16(4-2-15)11(19)8-9-7-10(18)14-12(20)13-9/h7,17H,1-6,8H2,(H2,13,14,18,20)/p+1
InChIKeyMKRQJMZBBVCGHQ-UHFFFAOYSA-O
XLogP-3.67
TPSA110.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-3.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 2149951) is 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CC[NH+](CCO)CC1.
What is the InChIKey of 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MKRQJMZBBVCGHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N4O4/c17-6-5-15-1-3-16(4-2-15)11(19)8-9-7-10(18)14-12(20)13-9/h7,17H,1-6,8H2,(H2,13,14,18,20)/p+1.
What are the key properties of 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 283.31 g/mol, XLogP of -3.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2149951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).