2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

C14H26N6O — CID 80902394

IUPAC2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C14H26N6O/c1-6-20(7-11(21)18-10(4)5)14-12(9(2)3)13(19-15)16-8-17-14/h8-10H,6-7,15H2,1-5H3,(H,18,21)(H,16,17,19)
InChIKeyKUIPMDZWQHQODF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.24
Rot. Bonds7

About 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 80902394) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID80902394
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C14H26N6O/c1-6-20(7-11(21)18-10(4)5)14-12(9(2)3)13(19-15)16-8-17-14/h8-10H,6-7,15H2,1-5H3,(H,18,21)(H,16,17,19)
InChIKeyKUIPMDZWQHQODF-UHFFFAOYSA-N
XLogP1.24
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 80902394) is 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ncnc(NN)c1C(C)C.
What is the InChIKey of 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is KUIPMDZWQHQODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-6-20(7-11(21)18-10(4)5)14-12(9(2)3)13(19-15)16-8-17-14/h8-10H,6-7,15H2,1-5H3,(H,18,21)(H,16,17,19).
What are the key properties of 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 294.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80902394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).