N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide

C19H23N5O2 — CID 109367498

IUPACN-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(C)cccc2C)cc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C19H23N5O2/c1-13-5-4-6-14(2)18(13)22-19(26)16-11-17(21-15(3)20-16)24-9-7-23(12-25)8-10-24/h4-6,11-12H,7-10H2,1-3H3,(H,22,26)
InChIKeyUFZLFSHXQKTRSD-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.93
Rot. Bonds4

About N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide

N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109367498) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID109367498
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(C)cccc2C)cc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C19H23N5O2/c1-13-5-4-6-14(2)18(13)22-19(26)16-11-17(21-15(3)20-16)24-9-7-23(12-25)8-10-24/h4-6,11-12H,7-10H2,1-3H3,(H,22,26)
InChIKeyUFZLFSHXQKTRSD-UHFFFAOYSA-N
XLogP1.93
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.93
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

6-(4-formylpiperazin-1-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109367506
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
methyl 3-[[6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109367543
N-(4-tert-butylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367510
N-(2-cyanophenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367562
6-(4-formylpiperazin-1-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109367505
6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109367441
ethyl 2-[[6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109367561
2-methyl-6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366936
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362878
6-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109367811

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide (CID 109367498) is N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2c(C)cccc2C)cc(N2CCN(C=O)CC2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is UFZLFSHXQKTRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-5-4-6-14(2)18(13)22-19(26)16-11-17(21-15(3)20-16)24-9-7-23(12-25)8-10-24/h4-6,11-12H,7-10H2,1-3H3,(H,22,26).
What are the key properties of N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109367498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).