1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

C13H20N4O4 — CID 43427984

IUPAC1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCN(CCO)CC2)c1=O
InChIInChI=1S/C13H20N4O4/c1-14-11(19)2-3-17(13(14)21)10-12(20)16-6-4-15(5-7-16)8-9-18/h2-3,18H,4-10H2,1H3
InChIKeyDQRBNNYIJBDNAW-UHFFFAOYSA-N
MW296.33 g/mol
LogP-2.32
Rot. Bonds4

About 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (PubChem CID 43427984) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
PubChem CID43427984
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(CC(=O)N2CCN(CCO)CC2)c1=O
InChIInChI=1S/C13H20N4O4/c1-14-11(19)2-3-17(13(14)21)10-12(20)16-6-4-15(5-7-16)8-9-18/h2-3,18H,4-10H2,1H3
InChIKeyDQRBNNYIJBDNAW-UHFFFAOYSA-N
XLogP-2.32
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione (CID 43427984) is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)ccn(CC(=O)N2CCN(CCO)CC2)c1=O.
What is the InChIKey of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is DQRBNNYIJBDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-14-11(19)2-3-17(13(14)21)10-12(20)16-6-4-15(5-7-16)8-9-18/h2-3,18H,4-10H2,1H3.
What are the key properties of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione?
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of -2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 43427984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).