3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

C11H15F2N5OS — CID 106179605

IUPAC3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1cc2c(NCC(F)(F)CO)nc(NN)nc2s1
InChIInChI=1S/C11H15F2N5OS/c1-2-6-3-7-8(15-4-11(12,13)5-19)16-10(18-14)17-9(7)20-6/h3,19H,2,4-5,14H2,1H3,(H2,15,16,17,18)
InChIKeyWITHKAJKDKBLFV-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.58
Rot. Bonds6

About 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106179605) has the molecular formula C11H15F2N5OS and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106179605
Molecular FormulaC11H15F2N5OS
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1cc2c(NCC(F)(F)CO)nc(NN)nc2s1
InChIInChI=1S/C11H15F2N5OS/c1-2-6-3-7-8(15-4-11(12,13)5-19)16-10(18-14)17-9(7)20-6/h3,19H,2,4-5,14H2,1H3,(H2,15,16,17,18)
InChIKeyWITHKAJKDKBLFV-UHFFFAOYSA-N
XLogP1.58
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.58
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'}

Analyze 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol with MolForge

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Related Compounds

2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
N-(2-ethoxy-2-methylpropyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335867
[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466672
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611
3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334447
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-N-(furan-3-ylmethyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335794
6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 106412380
6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333186

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106179605) is 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is CCc1cc2c(NCC(F)(F)CO)nc(NN)nc2s1.
What is the InChIKey of 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is WITHKAJKDKBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5OS/c1-2-6-3-7-8(15-4-11(12,13)5-19)16-10(18-14)17-9(7)20-6/h3,19H,2,4-5,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 303.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106179605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).