2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C16H24N6O3 — CID 109253039

IUPAC2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=CN1CCN(c2ncc(C(=O)NCCN3CCOCC3)cn2)CC1
InChIInChI=1S/C16H24N6O3/c23-13-21-3-5-22(6-4-21)16-18-11-14(12-19-16)15(24)17-1-2-20-7-9-25-10-8-20/h11-13H,1-10H2,(H,17,24)
InChIKeyBEZJYEMUGMKSLK-UHFFFAOYSA-N
MW348.41 g/mol
LogP-1.18
Rot. Bonds6

About 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 109253039) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID109253039
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=CN1CCN(c2ncc(C(=O)NCCN3CCOCC3)cn2)CC1
InChIInChI=1S/C16H24N6O3/c23-13-21-3-5-22(6-4-21)16-18-11-14(12-19-16)15(24)17-1-2-20-7-9-25-10-8-20/h11-13H,1-10H2,(H,17,24)
InChIKeyBEZJYEMUGMKSLK-UHFFFAOYSA-N
XLogP-1.18
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-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-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 19258233
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 51499028
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
2-(4-formylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109254470
N-[(4-fluorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254461
2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994880
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254466
N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689462
N-(2-morpholin-4-ylethyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948937
N-(2-morpholin-4-ylethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301579

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 109253039) is 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is O=CN1CCN(c2ncc(C(=O)NCCN3CCOCC3)cn2)CC1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is BEZJYEMUGMKSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c23-13-21-3-5-22(6-4-21)16-18-11-14(12-19-16)15(24)17-1-2-20-7-9-25-10-8-20/h11-13H,1-10H2,(H,17,24).
What are the key properties of 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of -1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).