4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine

C13H21N5S — CID 103329501

IUPAC4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(NN(C)C)c2cc(CC)sc2n1
InChIInChI=1S/C13H21N5S/c1-5-7-14-13-15-11(17-18(3)4)10-8-9(6-2)19-12(10)16-13/h8H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyVFCUAUMQWIDNMI-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.96
Rot. Bonds6

About 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine

4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103329501) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103329501
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(NN(C)C)c2cc(CC)sc2n1
InChIInChI=1S/C13H21N5S/c1-5-7-14-13-15-11(17-18(3)4)10-8-9(6-2)19-12(10)16-13/h8H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyVFCUAUMQWIDNMI-UHFFFAOYSA-N
XLogP2.96
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N,6-triethyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323820
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
6-ethyl-4-N-pentan-2-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324208
6-ethyl-4-(2-methylbutan-2-yloxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331306
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-N-propyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331247
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466672
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63719456
2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103335521
1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol
CID 103330320

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 103329501) is 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(NN(C)C)c2cc(CC)sc2n1.
What is the InChIKey of 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is VFCUAUMQWIDNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-7-14-13-15-11(17-18(3)4)10-8-9(6-2)19-12(10)16-13/h8H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylhydrazinyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103329501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).