N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide

C18H21N5O2 — CID 109254527

IUPACN-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCN(C=O)CC2)nc1)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-2-23(16-6-4-3-5-7-16)17(25)15-12-19-18(20-13-15)22-10-8-21(14-24)9-11-22/h3-7,12-14H,2,8-11H2,1H3
InChIKeyMLPFGDGQPXPRPS-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.42
Rot. Bonds5

About N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide

N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide (PubChem CID 109254527) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
PubChem CID109254527
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCN(C=O)CC2)nc1)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-2-23(16-6-4-3-5-7-16)17(25)15-12-19-18(20-13-15)22-10-8-21(14-24)9-11-22/h3-7,12-14H,2,8-11H2,1H3
InChIKeyMLPFGDGQPXPRPS-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109259769
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084799
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109261095
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
(2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 8595023
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254553
4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide (CID 109254527) is N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(N2CCN(C=O)CC2)nc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is MLPFGDGQPXPRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-23(16-6-4-3-5-7-16)17(25)15-12-19-18(20-13-15)22-10-8-21(14-24)9-11-22/h3-7,12-14H,2,8-11H2,1H3.
What are the key properties of N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide?
N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109254527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).