6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H16N4O4 — CID 43415645

IUPAC6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(CCO)CC1
InChIInChI=1S/C11H16N4O4/c16-6-5-14-1-3-15(4-2-14)10(18)8-7-9(17)13-11(19)12-8/h7,16H,1-6H2,(H2,12,13,17,19)
InChIKeyBUBPYWAJWPJPOA-UHFFFAOYSA-N
MW268.27 g/mol
LogP-2.19
Rot. Bonds3

About 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 43415645) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID43415645
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(CCO)CC1
InChIInChI=1S/C11H16N4O4/c16-6-5-14-1-3-15(4-2-14)10(18)8-7-9(17)13-11(19)12-8/h7,16H,1-6H2,(H2,12,13,17,19)
InChIKeyBUBPYWAJWPJPOA-UHFFFAOYSA-N
XLogP-2.19
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 43415645) is 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(CCO)CC1.
What is the InChIKey of 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BUBPYWAJWPJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-6-5-14-1-3-15(4-2-14)10(18)8-7-9(17)13-11(19)12-8/h7,16H,1-6H2,(H2,12,13,17,19).
What are the key properties of 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of -2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43415645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).