6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide

C18H21N5O3 — CID 109345656

IUPAC6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(N2CCN(C=O)CC2)ncn1
InChIInChI=1S/C18H21N5O3/c1-13-3-4-16(26-2)14(9-13)21-18(25)15-10-17(20-11-19-15)23-7-5-22(12-24)6-8-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,25)
InChIKeyVAWUWDIDTJHYLQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.32
Rot. Bonds5

About 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide

6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109345656) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109345656
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(N2CCN(C=O)CC2)ncn1
InChIInChI=1S/C18H21N5O3/c1-13-3-4-16(26-2)14(9-13)21-18(25)15-10-17(20-11-19-15)23-7-5-22(12-24)6-8-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,25)
InChIKeyVAWUWDIDTJHYLQ-UHFFFAOYSA-N
XLogP1.32
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979
N-(3,4-dimethylphenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345622
N-(2-chlorophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345639
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345645
6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345915
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
ethyl 4-[[6-(4-formylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109345684
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
5-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278676
ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352809
4-[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858305
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide (CID 109345656) is 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(N2CCN(C=O)CC2)ncn1.
What is the InChIKey of 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is VAWUWDIDTJHYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-13-3-4-16(26-2)14(9-13)21-18(25)15-10-17(20-11-19-15)23-7-5-22(12-24)6-8-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,25).
What are the key properties of 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide?
6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109345656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).