6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide

C20H27N5O2 — CID 109342971

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(N2CCN(c3cccc(C)c3C)CC2)ncn1
InChIInChI=1S/C20H27N5O2/c1-15-5-4-6-18(16(15)2)24-8-10-25(11-9-24)19-13-17(22-14-23-19)20(26)21-7-12-27-3/h4-6,13-14H,7-12H2,1-3H3,(H,21,26)
InChIKeyOXKHWCSTRRHHLE-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.80
Rot. Bonds6

About 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 109342971) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID109342971
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(N2CCN(c3cccc(C)c3C)CC2)ncn1
InChIInChI=1S/C20H27N5O2/c1-15-5-4-6-18(16(15)2)24-8-10-25(11-9-24)19-13-17(22-14-23-19)20(26)21-7-12-27-3/h4-6,13-14H,7-12H2,1-3H3,(H,21,26)
InChIKeyOXKHWCSTRRHHLE-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340442
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167023
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856883
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192731
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858244
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109115996
N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109344276
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251538

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide (CID 109342971) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide is COCCNC(=O)c1cc(N2CCN(c3cccc(C)c3C)CC2)ncn1.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is OXKHWCSTRRHHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-5-4-6-18(16(15)2)24-8-10-25(11-9-24)19-13-17(22-14-23-19)20(26)21-7-12-27-3/h4-6,13-14H,7-12H2,1-3H3,(H,21,26).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).