1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide

C14H23N5O2 — CID 115973483

IUPAC1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nc(C)cc(OCC)n1
InChIInChI=1S/C14H23N5O2/c1-4-16-13(20)11-9-15-6-7-19(11)14-17-10(3)8-12(18-14)21-5-2/h8,11,15H,4-7,9H2,1-3H3,(H,16,20)
InChIKeyJPGYXQGRCTZBDP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.10
Rot. Bonds5

About 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide

1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide (PubChem CID 115973483) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
PubChem CID115973483
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nc(C)cc(OCC)n1
InChIInChI=1S/C14H23N5O2/c1-4-16-13(20)11-9-15-6-7-19(11)14-17-10(3)8-12(18-14)21-5-2/h8,11,15H,4-7,9H2,1-3H3,(H,16,20)
InChIKeyJPGYXQGRCTZBDP-UHFFFAOYSA-N
XLogP0.10
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide (CID 115973483) is 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1nc(C)cc(OCC)n1.
What is the InChIKey of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is JPGYXQGRCTZBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-16-13(20)11-9-15-6-7-19(11)14-17-10(3)8-12(18-14)21-5-2/h8,11,15H,4-7,9H2,1-3H3,(H,16,20).
What are the key properties of 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 115973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).