6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide

C19H23N5O2 — CID 109367441

IUPAC6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC(C)c2ccccc2)cc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C19H23N5O2/c1-14(16-6-4-3-5-7-16)20-19(26)17-12-18(22-15(2)21-17)24-10-8-23(13-25)9-11-24/h3-7,12-14H,8-11H2,1-2H3,(H,20,26)
InChIKeyYIDHKSZYZUAXFS-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.55
Rot. Bonds5

About 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide

6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109367441) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109367441
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC(C)c2ccccc2)cc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C19H23N5O2/c1-14(16-6-4-3-5-7-16)20-19(26)17-12-18(22-15(2)21-17)24-10-8-23(13-25)9-11-24/h3-7,12-14H,8-11H2,1-2H3,(H,20,26)
InChIKeyYIDHKSZYZUAXFS-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.55
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

ethyl 4-[2-methyl-6-(1-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109369256
6-(4-formylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109116779
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369244
6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109367505
N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367498
6-(4-formylpiperazin-1-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109367506
N-(4-tert-butylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367510
6-(4-benzylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360619
N-(2-cyanophenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367562
N-[(4-fluorophenyl)methyl]-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367444
methyl 3-[[6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109367543
6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369260

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109367441) is 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide is Cc1nc(C(=O)NC(C)c2ccccc2)cc(N2CCN(C=O)CC2)n1.
What is the InChIKey of 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is YIDHKSZYZUAXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14(16-6-4-3-5-7-16)20-19(26)17-12-18(22-15(2)21-17)24-10-8-23(13-25)9-11-24/h3-7,12-14H,8-11H2,1-2H3,(H,20,26).
What are the key properties of 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109367441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).