N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine

C13H22N6S — CID 103335219

IUPACN'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(NN)nc2sccc12
InChIInChI=1S/C13H22N6S/c1-13(2,8-19(3)4)7-15-10-9-5-6-20-11(9)17-12(16-10)18-14/h5-6H,7-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyQIWIMROAXNMQBV-UHFFFAOYSA-N
MW294.43 g/mol
LogP1.98
Rot. Bonds6

About N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 103335219) has the molecular formula C13H22N6S and a molecular weight of 294.43 g/mol. Its IUPAC name is N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID103335219
Molecular FormulaC13H22N6S
Molecular Weight294.43 g/mol
Exact Mass294.16
IUPAC NameN'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(NN)nc2sccc12
InChIInChI=1S/C13H22N6S/c1-13(2,8-19(3)4)7-15-10-9-5-6-20-11(9)17-12(16-10)18-14/h5-6H,7-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyQIWIMROAXNMQBV-UHFFFAOYSA-N
XLogP1.98
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
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

N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103320479
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
N-[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 103333795
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022
N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 103335475
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
2-hydrazinyl-N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335722
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
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

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 103335219) is N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1nc(NN)nc2sccc12.
What is the InChIKey of N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is QIWIMROAXNMQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6S/c1-13(2,8-19(3)4)7-15-10-9-5-6-20-11(9)17-12(16-10)18-14/h5-6H,7-8,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 294.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 103335219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).