[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine

C10H16F2N4O — CID 103150529

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(CCOCC(F)F)nc(NN)c1C
InChIInChI=1S/C10H16F2N4O/c1-6-7(2)14-9(15-10(6)16-13)3-4-17-5-8(11)12/h8H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyPKPMEDQGQCOJHC-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.20
Rot. Bonds6

About [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine

[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 103150529) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
PubChem CID103150529
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(CCOCC(F)F)nc(NN)c1C
InChIInChI=1S/C10H16F2N4O/c1-6-7(2)14-9(15-10(6)16-13)3-4-17-5-8(11)12/h8H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyPKPMEDQGQCOJHC-UHFFFAOYSA-N
XLogP1.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 103150327
2-[2-(2,2-difluoroethoxy)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 103150291
[5,6-dimethyl-2-(3-methylbutyl)pyrimidin-4-yl]hydrazine
CID 62250159
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 103150293
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 103150375
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150345
[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
CID 79964597
[2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 103150509
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 103150808
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 103150814
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
CID 103151376
[5,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]hydrazine
CID 62252952

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine (CID 103150529) is [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(CCOCC(F)F)nc(NN)c1C.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is PKPMEDQGQCOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-6-7(2)14-9(15-10(6)16-13)3-4-17-5-8(11)12/h8H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine?
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 246.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103150529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).