N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide

C18H21N5O2 — CID 109254526

IUPACN-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCN(C=O)CC3)nc2)cc1
InChIInChI=1S/C18H21N5O2/c1-2-14-3-5-16(6-4-14)21-17(25)15-11-19-18(20-12-15)23-9-7-22(13-24)8-10-23/h3-6,11-13H,2,7-10H2,1H3,(H,21,25)
InChIKeyQKKJKTYCHJUATQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.57
Rot. Bonds5

About N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide

N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109254526) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109254526
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(N3CCN(C=O)CC3)nc2)cc1
InChIInChI=1S/C18H21N5O2/c1-2-14-3-5-16(6-4-14)21-17(25)15-11-19-18(20-12-15)23-9-7-22(13-24)8-10-23/h3-6,11-13H,2,7-10H2,1H3,(H,21,25)
InChIKeyQKKJKTYCHJUATQ-UHFFFAOYSA-N
XLogP1.57
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109254563
N-(4-ethylphenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230941
N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254553
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
2-(4-formylpiperazin-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109254513
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254269
N-[(4-fluorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254461
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
2-(4-formylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109254470

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109254526) is N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(N3CCN(C=O)CC3)nc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is QKKJKTYCHJUATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-14-3-5-16(6-4-14)21-17(25)15-11-19-18(20-12-15)23-9-7-22(13-24)8-10-23/h3-6,11-13H,2,7-10H2,1H3,(H,21,25).
What are the key properties of N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).