N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C12H18N6OS — CID 103335475

IUPACN-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(NN)nc2sccc12
InChIInChI=1S/C12H18N6OS/c1-12(2,3)17-8(19)6-14-9-7-4-5-20-10(7)16-11(15-9)18-13/h4-5H,6,13H2,1-3H3,(H,17,19)(H2,14,15,16,18)
InChIKeyKJCMPXNEECAHST-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.30
Rot. Bonds4

About N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 103335475) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID103335475
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC NameN-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(NN)nc2sccc12
InChIInChI=1S/C12H18N6OS/c1-12(2,3)17-8(19)6-14-9-7-4-5-20-10(7)16-11(15-9)18-13/h4-5H,6,13H2,1-3H3,(H,17,19)(H2,14,15,16,18)
InChIKeyKJCMPXNEECAHST-UHFFFAOYSA-N
XLogP1.30
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.30
H-Bond Donors ≤ 54
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-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103325098
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 103333795
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 103335219
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 103335475) is N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1nc(NN)nc2sccc12.
What is the InChIKey of N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is KJCMPXNEECAHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-12(2,3)17-8(19)6-14-9-7-4-5-20-10(7)16-11(15-9)18-13/h4-5H,6,13H2,1-3H3,(H,17,19)(H2,14,15,16,18).
What are the key properties of N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 103335475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).