N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide

C16H15Cl2N5O2 — CID 109302813

IUPACN-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=CN1CCN(c2nccc(C(=O)Nc3c(Cl)cccc3Cl)n2)CC1
InChIInChI=1S/C16H15Cl2N5O2/c17-11-2-1-3-12(18)14(11)21-15(25)13-4-5-19-16(20-13)23-8-6-22(10-24)7-9-23/h1-5,10H,6-9H2,(H,21,25)
InChIKeyPVGNVGACNXWGDD-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.31
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109302813) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109302813
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC NameN-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=CN1CCN(c2nccc(C(=O)Nc3c(Cl)cccc3Cl)n2)CC1
InChIInChI=1S/C16H15Cl2N5O2/c17-11-2-1-3-12(18)14(11)21-15(25)13-4-5-19-16(20-13)23-8-6-22(10-24)7-9-23/h1-5,10H,6-9H2,(H,21,25)
InChIKeyPVGNVGACNXWGDD-UHFFFAOYSA-N
XLogP2.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.31
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-[(2-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302685
N-(2,6-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109308078
N-[4-(dimethylamino)phenyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302794
N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310649
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302803
4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856
2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301855
N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302442
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302460

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109302813) is N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide is O=CN1CCN(c2nccc(C(=O)Nc3c(Cl)cccc3Cl)n2)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is PVGNVGACNXWGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c17-11-2-1-3-12(18)14(11)21-15(25)13-4-5-19-16(20-13)23-8-6-22(10-24)7-9-23/h1-5,10H,6-9H2,(H,21,25).
What are the key properties of N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109302813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).