1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

C12H18N4O3 — CID 43428134

IUPAC1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H18N4O3/c17-9-8-14-4-6-15(7-5-14)11(18)10-16-3-1-2-13-12(16)19/h1-3,17H,4-10H2
InChIKeyAPEXDHIUJDDKPI-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.62
Rot. Bonds4

About 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 43428134) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID43428134
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H18N4O3/c17-9-8-14-4-6-15(7-5-14)11(18)10-16-3-1-2-13-12(16)19/h1-3,17H,4-10H2
InChIKeyAPEXDHIUJDDKPI-UHFFFAOYSA-N
XLogP-1.62
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915533
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113964726
N-ethyl-N-[1-(ethylideneamino)ethenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 123493765
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428125
1-[2-(3-Hydroxypiperidin-1-yl)-2-oxoethyl]pyrimidin-2-one
CID 43428133
2-[4-[2-(2-Oxopyrimidin-1-yl)acetyl]piperazin-1-yl]acetic acid
CID 43521269
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 43573352
N-cyclopropyl-N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43576625
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 54993170
N,N-bis(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 61235828
N-(2-hydroxypropyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 62334227
1-[2-[4-(2-Hydroxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 63308803

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 43428134) is 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is APEXDHIUJDDKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-9-8-14-4-6-15(7-5-14)11(18)10-16-3-1-2-13-12(16)19/h1-3,17H,4-10H2.
What are the key properties of 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 266.30 g/mol, XLogP of -1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 43428134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).