6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H22N4O3 — CID 71900502

IUPAC6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCN(CCO)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O3/c1-14-11(9-12(19)15(2)13(14)20)10-17-5-3-16(4-6-17)7-8-18/h9,18H,3-8,10H2,1-2H3
InChIKeyUOYSZPZJAFBJBK-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.81
Rot. Bonds4

About 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 71900502) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID71900502
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCN(CCO)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O3/c1-14-11(9-12(19)15(2)13(14)20)10-17-5-3-16(4-6-17)7-8-18/h9,18H,3-8,10H2,1-2H3
InChIKeyUOYSZPZJAFBJBK-UHFFFAOYSA-N
XLogP-1.81
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 71900502) is 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCN(CCO)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UOYSZPZJAFBJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-14-11(9-12(19)15(2)13(14)20)10-17-5-3-16(4-6-17)7-8-18/h9,18H,3-8,10H2,1-2H3.
What are the key properties of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of -1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 71900502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).