1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide

C13H21N5O3 — CID 115355359

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nc(OC)cc(OC)n1
InChIInChI=1S/C13H21N5O3/c1-4-15-12(19)9-8-14-5-6-18(9)13-16-10(20-2)7-11(17-13)21-3/h7,9,14H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyYBHXDRVSIUJYCY-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.59
Rot. Bonds5

About 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide

1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide (PubChem CID 115355359) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
PubChem CID115355359
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nc(OC)cc(OC)n1
InChIInChI=1S/C13H21N5O3/c1-4-15-12(19)9-8-14-5-6-18(9)13-16-10(20-2)7-11(17-13)21-3/h7,9,14H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyYBHXDRVSIUJYCY-UHFFFAOYSA-N
XLogP-0.59
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperazine-2-carboxamide
CID 115973484
N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 66333888
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115973483
1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115975420
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 114600957
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
CID 114787143
1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide
CID 83157135
N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978464
N-ethyl-1-(3-methoxypyridine-4-carbonyl)piperazine-2-carboxamide
CID 105064126
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719
1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
CID 103582821
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide
CID 136978469

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide (CID 115355359) is 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1nc(OC)cc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is YBHXDRVSIUJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-4-15-12(19)9-8-14-5-6-18(9)13-16-10(20-2)7-11(17-13)21-3/h7,9,14H,4-6,8H2,1-3H3,(H,15,19).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide?
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 115355359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).