4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide

C11H17N5O2 — CID 146105812

IUPAC4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
SMILESCCOc1ccnc(N2CCNC(C(N)=O)C2)n1
InChIInChI=1S/C11H17N5O2/c1-2-18-9-3-4-14-11(15-9)16-6-5-13-8(7-16)10(12)17/h3-4,8,13H,2,5-7H2,1H3,(H2,12,17)
InChIKeyXFOVIEFKUVGCND-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.86
Rot. Bonds4

About 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide

4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide (PubChem CID 146105812) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
PubChem CID146105812
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
SMILESCCOc1ccnc(N2CCNC(C(N)=O)C2)n1
InChIInChI=1S/C11H17N5O2/c1-2-18-9-3-4-14-11(15-9)16-6-5-13-8(7-16)10(12)17/h3-4,8,13H,2,5-7H2,1H3,(H2,12,17)
InChIKeyXFOVIEFKUVGCND-UHFFFAOYSA-N
XLogP-0.86
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 112638748
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
2-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]propan-2-ol
CID 131916729
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709
1-(4-ethoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine
CID 103577741
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115975420
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 161200423
(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
1-(4-ethoxypyrimidin-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 146142616

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide?
The IUPAC name of 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide (CID 146105812) is 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide?
The canonical SMILES for 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide is CCOc1ccnc(N2CCNC(C(N)=O)C2)n1.
What is the InChIKey of 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide?
The InChIKey is XFOVIEFKUVGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-18-9-3-4-14-11(15-9)16-6-5-13-8(7-16)10(12)17/h3-4,8,13H,2,5-7H2,1H3,(H2,12,17).
What are the key properties of 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide?
4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 146105812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).