3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one

C13H20N4O2 — CID 110487352

IUPAC3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one
SMILESCCOc1ncc(CCC(=O)N2CCNCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-2-19-13-15-9-11(10-16-13)3-4-12(18)17-7-5-14-6-8-17/h9-10,14H,2-8H2,1H3
InChIKeyGVXFPLUEWKWMQG-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.24
Rot. Bonds5

About 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one

3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 110487352) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID110487352
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one
SMILESCCOc1ncc(CCC(=O)N2CCNCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-2-19-13-15-9-11(10-16-13)3-4-12(18)17-7-5-14-6-8-17/h9-10,14H,2-8H2,1H3
InChIKeyGVXFPLUEWKWMQG-UHFFFAOYSA-N
XLogP0.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5H,6H,7H,8H-pyrido(2,3-d)pyrimidin-7-one
CID 84021243
US11077113, Example 6
CID 162533416
1-{2-[(5-Ethyl-2-methylpyrimidin-4-yl)amino]ethyl}piperidine-3-carboxamide
CID 50958308
N~3~-[(2-amino-5-pyrimidinyl)methyl]-N~1~,N~1~,N~3~-trimethyl-1,3-piperidinedicarboxamide
CID 72902403
N-[3-(2-aminopyrimidin-5-yl)propyl]decanamide
CID 162657491
1-Methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56752109
(2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide
CID 95717503
N-(1-propionylpiperidin-4-yl)-5-propylpyrimidin-2-amine
CID 124207034
1-[(2R)-2-tert-butylmorpholin-4-yl]-3-pyrimidin-5-ylpropan-1-one
CID 125143776
1-Methyl-4-(5-propylpyrimidin-2-YL)piperazin-2-one
CID 129612994
3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
CID 164637606
4-[2-(Trifluoromethyl)pyrimidin-5-yl]piperidin-2-one
CID 76673371

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one (CID 110487352) is 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one is CCOc1ncc(CCC(=O)N2CCNCC2)cn1.
What is the InChIKey of 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is GVXFPLUEWKWMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-19-13-15-9-11(10-16-13)3-4-12(18)17-7-5-14-6-8-17/h9-10,14H,2-8H2,1H3.
What are the key properties of 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one?
3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 264.33 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypyrimidin-5-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 110487352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).