[2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

C13H15ClN4O — CID 62320322

IUPAC[2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN4O/c1-19-8-11-7-13(18-15)17-12(16-11)6-9-2-4-10(14)5-3-9/h2-5,7H,6,8,15H2,1H3,(H,16,17,18)
InChIKeyCVMUTZMFCVDSMU-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.15
Rot. Bonds5

About [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

[2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 62320322) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID62320322
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name[2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN4O/c1-19-8-11-7-13(18-15)17-12(16-11)6-9-2-4-10(14)5-3-9/h2-5,7H,6,8,15H2,1H3,(H,16,17,18)
InChIKeyCVMUTZMFCVDSMU-UHFFFAOYSA-N
XLogP2.15
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (CID 62320322) is [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is COCc1cc(NN)nc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is CVMUTZMFCVDSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-19-8-11-7-13(18-15)17-12(16-11)6-9-2-4-10(14)5-3-9/h2-5,7H,6,8,15H2,1H3,(H,16,17,18).
What are the key properties of [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
[2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 278.74 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62320322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).