N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide

C14H26N6O — CID 81007097

IUPACN-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide
SMILESCCc1nc(NN)c(C)c(NCCC(=O)NC(C)CC)n1
InChIInChI=1S/C14H26N6O/c1-5-9(3)17-12(21)7-8-16-13-10(4)14(20-15)19-11(6-2)18-13/h9H,5-8,15H2,1-4H3,(H,17,21)(H2,16,18,19,20)
InChIKeyVGSSFIVPRDXNDJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.35
Rot. Bonds8

About N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide

N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 81007097) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide
PubChem CID81007097
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC NameN-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide
SMILESCCc1nc(NN)c(C)c(NCCC(=O)NC(C)CC)n1
InChIInChI=1S/C14H26N6O/c1-5-9(3)17-12(21)7-8-16-13-10(4)14(20-15)19-11(6-2)18-13/h9H,5-8,15H2,1-4H3,(H,17,21)(H2,16,18,19,20)
InChIKeyVGSSFIVPRDXNDJ-UHFFFAOYSA-N
XLogP1.35
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.35
H-Bond Donors ≤ 54
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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Related Compounds

5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138744
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102750885
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80819921
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 81006974
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-N-butan-2-ylpropanamide
CID 80819829
N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 55152673
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80954543
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide (CID 81007097) is N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide is CCc1nc(NN)c(C)c(NCCC(=O)NC(C)CC)n1.
What is the InChIKey of N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is VGSSFIVPRDXNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-5-9(3)17-12(21)7-8-16-13-10(4)14(20-15)19-11(6-2)18-13/h9H,5-8,15H2,1-4H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide?
N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 81007097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).