3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide

C11H20N6O2 — CID 106179473

IUPAC3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESCC(C)(C)c1nc(NN)cc(NCC(O)C(N)=O)n1
InChIInChI=1S/C11H20N6O2/c1-11(2,3)10-15-7(4-8(16-10)17-13)14-5-6(18)9(12)19/h4,6,18H,5,13H2,1-3H3,(H2,12,19)(H2,14,15,16,17)
InChIKeyHPNBPDYTIVVCNK-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.68
Rot. Bonds5

About 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide

3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 106179473) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID106179473
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESCC(C)(C)c1nc(NN)cc(NCC(O)C(N)=O)n1
InChIInChI=1S/C11H20N6O2/c1-11(2,3)10-15-7(4-8(16-10)17-13)14-5-6(18)9(12)19/h4,6,18H,5,13H2,1-3H3,(H2,12,19)(H2,14,15,16,17)
InChIKeyHPNBPDYTIVVCNK-UHFFFAOYSA-N
XLogP-0.68
TPSA139.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178955
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80963892
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
CID 80968241
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 80964023
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489
3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 130569835
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 106179473) is 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide is CC(C)(C)c1nc(NN)cc(NCC(O)C(N)=O)n1.
What is the InChIKey of 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is HPNBPDYTIVVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-11(2,3)10-15-7(4-8(16-10)17-13)14-5-6(18)9(12)19/h4,6,18H,5,13H2,1-3H3,(H2,12,19)(H2,14,15,16,17).
What are the key properties of 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 268.32 g/mol, XLogP of -0.68, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106179473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).