3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C13H24N6O — CID 81006974

IUPAC3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCc1c(NN)nc(C(C)C)nc1NCCC(=O)N(C)C
InChIInChI=1S/C13H24N6O/c1-8(2)11-16-12(9(3)13(17-11)18-14)15-7-6-10(20)19(4)5/h8H,6-7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyLUMCPPSUDCFBFA-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.08
Rot. Bonds6

About 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 81006974) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID81006974
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCc1c(NN)nc(C(C)C)nc1NCCC(=O)N(C)C
InChIInChI=1S/C13H24N6O/c1-8(2)11-16-12(9(3)13(17-11)18-14)15-7-6-10(20)19(4)5/h8H,6-7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyLUMCPPSUDCFBFA-UHFFFAOYSA-N
XLogP1.08
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.08
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 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 81006974) is 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is Cc1c(NN)nc(C(C)C)nc1NCCC(=O)N(C)C.
What is the InChIKey of 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is LUMCPPSUDCFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-8(2)11-16-12(9(3)13(17-11)18-14)15-7-6-10(20)19(4)5/h8H,6-7,14H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 280.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 81006974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).