N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

C12H14N6OS — CID 106379043

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(CNc2nc(NN)nc3sccc23)oc1C
InChIInChI=1S/C12H14N6OS/c1-6-7(2)19-9(15-6)5-14-10-8-3-4-20-11(8)17-12(16-10)18-13/h3-4H,5,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyXJFDHUCDIGZZNX-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.19
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 106379043) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
PubChem CID106379043
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(CNc2nc(NN)nc3sccc23)oc1C
InChIInChI=1S/C12H14N6OS/c1-6-7(2)19-9(15-6)5-14-10-8-3-4-20-11(8)17-12(16-10)18-13/h3-4H,5,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyXJFDHUCDIGZZNX-UHFFFAOYSA-N
XLogP2.19
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
2-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333206
2-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103333777
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333215
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
2-hydrazinyl-N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335722
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 103335755
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (CID 106379043) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(CNc2nc(NN)nc3sccc23)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XJFDHUCDIGZZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-6-7(2)19-9(15-6)5-14-10-8-3-4-20-11(8)17-12(16-10)18-13/h3-4H,5,13H2,1-2H3,(H2,14,16,17,18).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 290.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106379043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).