5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

C14H22N4O3 — CID 43416397

IUPAC5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H22N4O3/c1-10-12(11(2)16-14(21)15-10)9-13(20)18-5-3-17(4-6-18)7-8-19/h19H,3-9H2,1-2H3,(H,15,16,21)
InChIKeyUQZYYCVKOYXWSC-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.93
Rot. Bonds4

About 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 43416397) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID43416397
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H22N4O3/c1-10-12(11(2)16-14(21)15-10)9-13(20)18-5-3-17(4-6-18)7-8-19/h19H,3-9H2,1-2H3,(H,15,16,21)
InChIKeyUQZYYCVKOYXWSC-UHFFFAOYSA-N
XLogP-0.93
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (CID 43416397) is 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is UQZYYCVKOYXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-12(11(2)16-14(21)15-10)9-13(20)18-5-3-17(4-6-18)7-8-19/h19H,3-9H2,1-2H3,(H,15,16,21).
What are the key properties of 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 294.35 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 43416397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).