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

C14H14Cl2N4 — CID 62252161

IUPAC[2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cc2ccc(Cl)cc2Cl)nc2c1CCC2
InChIInChI=1S/C14H14Cl2N4/c15-9-5-4-8(11(16)7-9)6-13-18-12-3-1-2-10(12)14(19-13)20-17/h4-5,7H,1-3,6,17H2,(H,18,19,20)
InChIKeyNYAFEIKGJLCPJS-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.15
Rot. Bonds3

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

[2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 62252161) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID62252161
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name[2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(Cc2ccc(Cl)cc2Cl)nc2c1CCC2
InChIInChI=1S/C14H14Cl2N4/c15-9-5-4-8(11(16)7-9)6-13-18-12-3-1-2-10(12)14(19-13)20-17/h4-5,7H,1-3,6,17H2,(H,18,19,20)
InChIKeyNYAFEIKGJLCPJS-UHFFFAOYSA-N
XLogP3.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.15
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 62252161) is [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(Cc2ccc(Cl)cc2Cl)nc2c1CCC2.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is NYAFEIKGJLCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c15-9-5-4-8(11(16)7-9)6-13-18-12-3-1-2-10(12)14(19-13)20-17/h4-5,7H,1-3,6,17H2,(H,18,19,20).
What are the key properties of [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 309.20 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).