N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C13H14FN5 — CID 94672727

IUPACN-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESNNc1nc(Nc2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C13H14FN5/c14-8-4-6-9(7-5-8)16-13-17-11-3-1-2-10(11)12(18-13)19-15/h4-7H,1-3,15H2,(H2,16,17,18,19)
InChIKeyHESBNNZRRXRMRF-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.13
Rot. Bonds3

About N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 94672727) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID94672727
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC NameN-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESNNc1nc(Nc2ccc(F)cc2)nc2c1CCC2
InChIInChI=1S/C13H14FN5/c14-8-4-6-9(7-5-8)16-13-17-11-3-1-2-10(11)12(18-13)19-15/h4-7H,1-3,15H2,(H2,16,17,18,19)
InChIKeyHESBNNZRRXRMRF-UHFFFAOYSA-N
XLogP2.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.13
H-Bond Donors ≤ 53
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

4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94672736
4-[(4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]benzonitrile
CID 94672708
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 107281498
(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
CID 142163841
[2-(3-chloro-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63088195
[2-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62250852
[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-(4-fluoroanilino)-4-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 30318701
[2-(2-methylfuran-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104790753
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 81312713

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 94672727) is N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is NNc1nc(Nc2ccc(F)cc2)nc2c1CCC2.
What is the InChIKey of N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is HESBNNZRRXRMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c14-8-4-6-9(7-5-8)16-13-17-11-3-1-2-10(11)12(18-13)19-15/h4-7H,1-3,15H2,(H2,16,17,18,19).
What are the key properties of N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 259.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-hydrazinyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 94672727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).