1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine

C25H23ClN4 — CID 89357916

IUPAC1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine
SMILESCCC1C=C=C(N(N)c2nc(-c3ccccc3Cl)nc3c2CCC3)c2ccccc21
InChIInChI=1S/C25H23ClN4/c1-2-16-14-15-23(18-9-4-3-8-17(16)18)30(27)25-20-11-7-13-22(20)28-24(29-25)19-10-5-6-12-21(19)26/h3-6,8-10,12,14,16H,2,7,11,13,27H2,1H3
InChIKeyTYTCHZUGRCEUQD-UHFFFAOYSA-N
MW414.94 g/mol
LogP5.67
Rot. Bonds4

About 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine

1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine (PubChem CID 89357916) has the molecular formula C25H23ClN4 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine
PubChem CID89357916
Molecular FormulaC25H23ClN4
Molecular Weight414.94 g/mol
Exact Mass414.16
IUPAC Name1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine
SMILESCCC1C=C=C(N(N)c2nc(-c3ccccc3Cl)nc3c2CCC3)c2ccccc21
InChIInChI=1S/C25H23ClN4/c1-2-16-14-15-23(18-9-4-3-8-17(16)18)30(27)25-20-11-7-13-22(20)28-24(29-25)19-10-5-6-12-21(19)26/h3-6,8-10,12,14,16H,2,7,11,13,27H2,1H3
InChIKeyTYTCHZUGRCEUQD-UHFFFAOYSA-N
XLogP5.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486615
[2-(2-chlorophenyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]methanamine
CID 28904281
2-(2-chlorophenyl)-N-(3-ethyl-3H-isoindol-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 142126708
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
2-(2-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79977157
[2-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62250852
2-(2-chlorophenyl)-N-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-4-amine
CID 142126512
2-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 83868891
2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385197
[2-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62252758
2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 1488847
2-(2-chlorophenyl)-4-ethoxyquinazoline
CID 914488

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine?
The IUPAC name of 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine (CID 89357916) is 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine?
The canonical SMILES for 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine is CCC1C=C=C(N(N)c2nc(-c3ccccc3Cl)nc3c2CCC3)c2ccccc21.
What is the InChIKey of 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine?
The InChIKey is TYTCHZUGRCEUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4/c1-2-16-14-15-23(18-9-4-3-8-17(16)18)30(27)25-20-11-7-13-22(20)28-24(29-25)19-10-5-6-12-21(19)26/h3-6,8-10,12,14,16H,2,7,11,13,27H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine?
1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine has a molecular weight of 414.94 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-(4-ethyl-4H-naphthalen-1-yl)hydrazine is sourced from PubChem (CID 89357916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).