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

C11H11ClN4S — CID 79427224

IUPAC[2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2cc(Cl)cs2)nc2c1CCC2
InChIInChI=1S/C11H11ClN4S/c12-6-4-9(17-5-6)11-14-8-3-1-2-7(8)10(15-11)16-13/h4-5H,1-3,13H2,(H,14,15,16)
InChIKeyDUCOQYCDHKANJX-UHFFFAOYSA-N
MW266.76 g/mol
LogP2.63
Rot. Bonds2

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

[2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 79427224) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID79427224
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name[2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2cc(Cl)cs2)nc2c1CCC2
InChIInChI=1S/C11H11ClN4S/c12-6-4-9(17-5-6)11-14-8-3-1-2-7(8)10(15-11)16-13/h4-5H,1-3,13H2,(H,14,15,16)
InChIKeyDUCOQYCDHKANJX-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 52.63
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-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62250929
[2-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104771595
[2-(3-chloro-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63088195
[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114077274
[2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 115568369
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
CID 142163841
[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 82801875
[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63481875
[2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62251116
[2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63482428
[2-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62250852

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 79427224) is [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2cc(Cl)cs2)nc2c1CCC2.
What is the InChIKey of [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is DUCOQYCDHKANJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c12-6-4-9(17-5-6)11-14-8-3-1-2-7(8)10(15-11)16-13/h4-5H,1-3,13H2,(H,14,15,16).
What are the key properties of [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 266.76 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79427224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).