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

C20H25N5O2 — CID 109367505

IUPAC6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C(C)C)cc2)cc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C20H25N5O2/c1-14(2)16-4-6-17(7-5-16)23-20(27)18-12-19(22-15(3)21-18)25-10-8-24(13-26)9-11-25/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)
InChIKeyAWUJRLFEBBZDMH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.44
Rot. Bonds5

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

6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109367505) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109367505
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C(C)C)cc2)cc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C20H25N5O2/c1-14(2)16-4-6-17(7-5-16)23-20(27)18-12-19(22-15(3)21-18)25-10-8-24(13-26)9-11-25/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)
InChIKeyAWUJRLFEBBZDMH-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.44
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-tert-butylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367510
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109371663
6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109367441
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
methyl 3-[[6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109367543
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(2-cyanophenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367562
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109367505) is 6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C(C)C)cc2)cc(N2CCN(C=O)CC2)n1.
What is the InChIKey of 6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is AWUJRLFEBBZDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(2)16-4-6-17(7-5-16)23-20(27)18-12-19(22-15(3)21-18)25-10-8-24(13-26)9-11-25/h4-7,12-14H,8-11H2,1-3H3,(H,23,27).
What are the key properties of 6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.44, 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-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109367505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).