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

C21H27N5O2 — CID 109326353

IUPAC2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C(C)C)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-14(2)17-7-5-6-15(3)19(17)24-20(28)18-12-16(4)22-21(23-18)26-10-8-25(13-27)9-11-26/h5-7,12-14H,8-11H2,1-4H3,(H,24,28)
InChIKeyPYWNMNXCORNMQP-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.75
Rot. Bonds5

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

2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109326353) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109326353
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C(C)C)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-14(2)17-7-5-6-15(3)19(17)24-20(28)18-12-16(4)22-21(23-18)26-10-8-25(13-27)9-11-26/h5-7,12-14H,8-11H2,1-4H3,(H,24,28)
InChIKeyPYWNMNXCORNMQP-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326393
N-(3-acetylphenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326383
N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367498
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269
2-(4-acetylpiperazin-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326608
2-(diethylamino)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109332241
N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279005
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330561
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334362
2-(cyclopropylamino)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319753
2-(4-formylpiperazin-1-yl)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109326285
2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109326296

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109326353) is 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)nc(N2CCN(C=O)CC2)n1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is PYWNMNXCORNMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14(2)17-7-5-6-15(3)19(17)24-20(28)18-12-16(4)22-21(23-18)26-10-8-25(13-27)9-11-26/h5-7,12-14H,8-11H2,1-4H3,(H,24,28).
What are the key properties of 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109326353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).