[2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

C12H16F2N4OS — CID 103150509

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(CCOCC(F)F)nc2s1
InChIInChI=1S/C12H16F2N4OS/c1-2-7-5-8-11(18-15)16-10(17-12(8)20-7)3-4-19-6-9(13)14/h5,9H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyLZCZRQSFLNAXGX-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.36
Rot. Bonds7

About [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 103150509) has the molecular formula C12H16F2N4OS and a molecular weight of 302.35 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID103150509
Molecular FormulaC12H16F2N4OS
Molecular Weight302.35 g/mol
Exact Mass302.10
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(CCOCC(F)F)nc2s1
InChIInChI=1S/C12H16F2N4OS/c1-2-7-5-8-11(18-15)16-10(17-12(8)20-7)3-4-19-6-9(13)14/h5,9H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyLZCZRQSFLNAXGX-UHFFFAOYSA-N
XLogP2.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-ethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615328
[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614031
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 103150529
[6-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614519
[2-(1-ethoxy-2-methylpropyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116730245
[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615804
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
[2-(1-ethoxycyclopentyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777458
[6-ethyl-2-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 106849598
6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614643
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
2-[2-(2,2-difluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150235

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 103150509) is [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is CCc1cc2c(NN)nc(CCOCC(F)F)nc2s1.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is LZCZRQSFLNAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4OS/c1-2-7-5-8-11(18-15)16-10(17-12(8)20-7)3-4-19-6-9(13)14/h5,9H,2-4,6,15H2,1H3,(H,16,17,18).
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 302.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103150509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).