[2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C10H13F3N4O — CID 103476371

IUPAC[2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COCC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)5-18-4-8-15-7-3-1-2-6(7)9(16-8)17-14/h1-5,14H2,(H,15,16,17)
InChIKeyIVCLXVQGTBQXFD-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.33
Rot. Bonds4

About [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 103476371) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID103476371
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name[2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COCC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)5-18-4-8-15-7-3-1-2-6(7)9(16-8)17-14/h1-5,14H2,(H,15,16,17)
InChIKeyIVCLXVQGTBQXFD-UHFFFAOYSA-N
XLogP1.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2-fluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)hydrazine
CID 142163887
[2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251599
[2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 79964167
[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine
CID 82192474
2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103150262
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103150280
[2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 103150512
[2-[2-(2,2-Difluoroethoxy)ethyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 103150516
[5-Ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-yl]hydrazine
CID 103150517
[2-[2-(2,2-Difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 103150525
[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 103150526
[2-[2-(2,2-Difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 103150532

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 103476371) is [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(COCC(F)(F)F)nc2c1CCC2.
What is the InChIKey of [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is IVCLXVQGTBQXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)5-18-4-8-15-7-3-1-2-6(7)9(16-8)17-14/h1-5,14H2,(H,15,16,17).
What are the key properties of [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 262.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103476371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).